[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H15ClN2O6S MolecularWeight: 434.8502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C19H15ClN2O6S/c1-10(18(23)21-11-4-3-5-12(8-11)22(25)26)28-19(24)17-16(20)14-7-6-13(27-2)9-15(14)29-17/h3-10H,1-2H3,(H,21,23)