zinc; 4-azanyl-5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane

Systemtic Name: zinc; 4-azanyl-5-oxidanylidene-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane Openeye Name: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane CAS Name: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane IUPAC Name: zinc; 4-amino-5-oxo-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane Traditional Name: zinc; 4-amino-5-keto-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one; 2-methylpentane Formula: C21H27N3O2Zn+2 MolecularWeight: 418.86698

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]CC(C)C.C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N.[Zn+2]

Isomeric SMILES

C[CH-]CC(C)C.C1=CC=C(C=C1)C2C(=O)C([N+](=O)C3=CC=CC=C3N2)N.[Zn+2]

InChI

InChI=1S/C15H14N3O2.C6H13.Zn/c16-15-14(19)13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)18(15)20;1-4-5-6(2)3;/h1-9,13,15,17H,16H2;4,6H,5H2,1-3H3;/q+1;-1;+2