2-(7-nitro-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile

Systemtic Name: 2-(7-nitro-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Openeye Name: 2-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile CAS Name: 2-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile IUPAC Name: 2-(3-hydroxy-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Traditional Name: 2-(3-hydroxy-2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionitrile Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O4/c1-11(10-19)21-15-8-7-13(22(25)26)9-14(15)16(20-17(23)18(21)24)12-5-3-2-4-6-12/h2-9,11,17,23H,1H3