7-nitro-N-(nitrosomethyl)-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine

Systemtic Name: 7-nitro-N-(nitrosomethyl)-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine Openeye Name: 4-hydroxy-7-nitro-N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-imine CAS Name: 4-hydroxy-7-nitro-N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-imine IUPAC Name: 4-hydroxy-7-nitro-N-(nitrosomethyl)-5-phenyl-3H-1,4-benzodiazepin-2-imine Traditional Name: (Z)-(4-hydroxy-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-(nitrosomethyl)amine Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NCN=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1/C(=N/CN=O)/N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c22-18-10-17-15-9-20(23)16(11-4-2-1-3-5-11)13-8-12(21(24)25)6-7-14(13)19-15/h1-8,23H,9-10H2/b17-15-