[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H11ClN2O5S MolecularWeight: 390.79764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O5S/c18-15-12-6-1-2-7-13(12)26-16(15)17(22)25-9-14(21)19-10-4-3-5-11(8-10)20(23)24/h1-8H,9H2,(H,19,21)