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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C)Cl

InChI

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