[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H14ClNO6S MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO6S/c1-10-2-3-11(8-12(10)19(23)24)14(21)9-25-17(22)7-4-13(20)15-5-6-16(18)26-15/h2-3,5-6,8H,4,7,9H2,1H3