7-nitro-5-phenyl-N-(propan-2-ylideneamino)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-nitro-5-phenyl-N-(propan-2-ylideneamino)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-(isopropylideneamino)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: 7-nitro-5-phenyl-N-(propan-2-ylideneamino)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-nitro-5-phenyl-N-(propan-2-ylideneamino)-3H-1,4-benzodiazepin-2-amine Traditional Name: (isopropylideneamino)-(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3)C

Isomeric SMILES

CC(=NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N5O2/c1-12(2)21-22-17-11-19-18(13-6-4-3-5-7-13)15-10-14(23(24)25)8-9-16(15)20-17/h3-10H,11H2,1-2H3,(H,20,22)