[(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-nitrobenzoate

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-nitrobenzoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C24H21ClN2O4 MolecularWeight: 436.88754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H21ClN2O4/c1-26-12-11-18-13-22(25)23(14-20(18)21(15-26)16-5-3-2-4-6-16)31-24(28)17-7-9-19(10-8-17)27(29)30/h2-10,13-14,21H,11-12,15H2,1H3/t21-/m0/s1