(5-methyl-2-propan-2-yl-cyclohexyl) 1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-methyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 1-methyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-methyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-keto-1-methyl-7-nitro-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CC(=O)N(C3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-])C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CC(=O)N(C3=C(C2C4=CC=CC=C4)C=C(C=C3)[N+](=O)[O-])C)C(C)C

InChI

InChI=1S/C27H33N3O5/c1-17(2)21-12-10-18(3)14-24(21)35-27(32)29-16-25(31)28(4)23-13-11-20(30(33)34)15-22(23)26(29)19-8-6-5-7-9-19/h5-9,11,13,15,17-18,21,24,26H,10,12,14,16H2,1-4H3