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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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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=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H13ClN2O5S/c1-10(17(22)20-11-5-4-6-12(9-11)21(24)25)26-18(23)16-15(19)13-7-2-3-8-14(13)27-16/h2-10H,1H3,(H,20,22)