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

Systemtic Name: (7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)methylcarbamic acid Openeye Name: (7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methylcarbamic acid CAS Name: (7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methylcarbamic acid IUPAC Name: (7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)methylcarbamic acid Traditional Name: (2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)methylcarbamic acid Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CNC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)CNC(=O)O

InChI

InChI=1S/C17H14N4O5/c22-15-9-18-16(11-4-2-1-3-5-11)13-8-12(21(25)26)6-7-14(13)20(15)10-19-17(23)24/h1-8,19H,9-10H2,(H,23,24)