[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H13FN2O5S MolecularWeight: 388.369623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H13FN2O5S/c1-10(17(22)20-11-5-7-12(8-6-11)21(24)25)26-18(23)16-9-13-14(19)3-2-4-15(13)27-16/h2-10H,1H3,(H,20,22)