ISDA: 8EYZ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: X5Z

IUPAC Name: AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT

Formal Charge: ?

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cc[nH]cc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C15 H23 Co N8 O4

Molecular weight: 438.328

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 4

Rotatable Bonds: 13

Heavy Atoms: 28

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	azidobis[N~2~,N~3~-dihydroxybut-2-ene-2,3-diaminato(2-)-kappa~2~N,N'](4-ethenylpyridine)cobalt(1+)
OpenEye OEToolkits	2.0.7	5-azido-5-(4-ethenylpyridin-1-ium-1-yl)-2,3,7,8-tetramethyl-1,4,6,9-tetrakis(oxidanyl)-1,4,6,9-tetraza-5$l^{6}-cobaltaspiro[4.4]nona-2,7-diene

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=Cc1cc[n+](cc1)[Co]12(\N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O
InChI	InChI	1.06	InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;21-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;27-8H,1-2H3;;/q;2-2;+6;-1/b;24-3-;;
InChIKey	InChI	1.06	KKXSWROVWVQWSY-GLPMUSQESA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3
SMILES	CACTVS	3.385	CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C