[(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 4-nitrobenzoate

Systemtic Name: [(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 4-nitrobenzoate Openeye Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c23-22(27)24-18-7-3-1-5-15(18)13-20(17-6-2-4-8-19(17)24)30-21(26)14-9-11-16(12-10-14)25(28)29/h1-12,20H,13H2,(H2,23,27)/t20-/m0/s1