Benzoic acid, 2-hydroxy-, [3-[1-cyano-2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene]hydrazide, nickel complex

Catalog Number	ACM85958801
CAS	85958-80-1
Synonyms	[[3-[1-Cyano-2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene](salicylic)hydrazidato(2-)]nickel
Molecular Weight	418.03
Molecular Formula	C19H13N5NiO3
Canonical SMILES	CNC(=O)C(=C=[N-])C1=C2C=CC=CC2=C(N1)N=NC(=O)C3=CC=CC=C3[O-].[Ni+2]
InChI	InChI=1S/C19H14N5O3.Ni/c1-21-18(26)14(10-20)16-11-6-2-3-7-12(11)17(22-16)23-24-19(27)13-8-4-5-9-15(13)25;/h2-9,22,25H,1H3,(H,21,26);/q-1;+2/p-1
InChI Key	VXLFHIGTXKTZCV-UHFFFAOYSA-M
Purity	98%
Complexity	658
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	417.037181
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Monoisotopic Mass	417.037181
Rotatable Bond Count	4
Topological Polar Surface Area	111 Ų