[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(4-acetylanilino)-4-oxo-butanoate CAS Name: 4-(4-acetylanilino)-4-oxobutanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate Traditional Name: 4-(4-acetylanilino)-4-keto-butyric acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H21ClN2O5/c1-13-17(22)4-3-5-18(13)24-20(27)12-29-21(28)11-10-19(26)23-16-8-6-15(7-9-16)14(2)25/h3-9H,10-12H2,1-2H3,(H,23,26)(H,24,27)