[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)COC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C23H19N3O5/c24-19-13-17(26(29)30)11-12-18(19)23(28)31-14-22(27)25-20-7-3-1-5-15(20)9-10-16-6-2-4-8-21(16)25/h1-8,11-13H,9-10,14,24H2