[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H20ClN3O4/c1-3-25(12-19(26)24-18-10-17(22)9-4-14(18)2)20(27)13-29-21(28)16-7-5-15(11-23)6-8-16/h4-10H,3,12-13H2,1-2H3,(H,24,26)