methyl (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylate

Systemtic Name: methyl (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylate Openeye Name: methyl (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylate CAS Name: (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylate Traditional Name: (4S,5S)-6-methyl-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylic acid methyl ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=CC(C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=C[C@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O4/c1-19-18-28(22-13-15-23(16-14-22)29(31)32)25(27(30)33-2)17-24(20-9-5-3-6-10-20)26(19)21-11-7-4-8-12-21/h3-18,24,26H,1-2H3/t24-,26+/m0/s1