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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H12Cl2N2O6S MolecularWeight: 431.24728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12Cl2N2O6S/c17-10-2-1-9(7-11(10)20(24)25)19-15(22)8-26-16(23)6-3-12(21)13-4-5-14(18)27-13/h1-2,4-5,7H,3,6,8H2,(H,19,22)