[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H19ClN2O5S/c23-18-14-16(25(28)29)11-12-19(18)24-22(27)21(15-6-2-1-3-7-15)30-20(26)10-4-8-17-9-5-13-31-17/h1-3,5-7,9,11-14,21H,4,8,10H2,(H,24,27)