[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C16H16N2O5S/c1-9-4-5-12(18(21)22)7-14(9)17-15(19)8-23-16(20)13-6-10(2)24-11(13)3/h4-7H,8H2,1-3H3,(H,17,19)