(7-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 3,5-dinitrobenzoate Openeye Name: (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-keto-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C23H16N4O7 MolecularWeight: 460.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7/c1-13-7-8-19-18(9-13)20(14-5-3-2-4-6-14)25-22(21(28)24-19)34-23(29)15-10-16(26(30)31)12-17(11-15)27(32)33/h2-12,22H,1H3,(H,24,28)