ethyl 8-chloranyl-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate

Systemtic Name: ethyl 8-chloranyl-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate Openeye Name: ethyl 8-chloro-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate CAS Name: 8-chloro-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylate Traditional Name: 8-chloro-6-(4-nitrophenyl)-11H-pyrrolo[1,2-c][2,3]benzodiazepine-2-carboxylic acid ethyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1)CC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4/c1-2-29-21(26)15-10-18-9-14-3-6-16(22)11-19(14)20(23-24(18)12-15)13-4-7-17(8-5-13)25(27)28/h3-8,10-12H,2,9H2,1H3