[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C18H18N2O6S/c1-11-4-3-5-13(20(24)25)18(11)19-16(22)10-26-17(23)9-7-14(21)15-8-6-12(2)27-15/h3-6,8H,7,9-10H2,1-2H3,(H,19,22)