[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CSC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC2=CSC=C2

InChI

InChI=1S/C16H16N2O5S/c1-11(23-15(19)7-2-12-8-9-24-10-12)16(20)17-13-3-5-14(6-4-13)18(21)22/h3-6,8-11H,2,7H2,1H3,(H,17,20)