6-(4-nitrophenyl)carbonyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid

Systemtic Name: 6-(4-nitrophenyl)carbonyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid Openeye Name: 6-(4-nitrobenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid CAS Name: 6-[(4-nitrophenyl)-oxomethyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid IUPAC Name: 6-(4-nitrobenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid Traditional Name: 6-(4-nitrobenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2C3=C1C=C(S3)C(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2C3=C1C=C(S3)C(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O5S/c23-19(12-5-7-14(8-6-12)22(26)27)21-10-9-13-11-17(20(24)25)28-18(13)15-3-1-2-4-16(15)21/h1-8,11H,9-10H2,(H,24,25)