methyl 3-bromanyl-4-[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C20H18BrClN2O4 MolecularWeight: 465.72492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)Cl

InChI

InChI=1S/C20H18BrClN2O4/c1-13-10-15(5-6-17(13)22)24(9-3-8-23)19(25)12-28-18-7-4-14(11-16(18)21)20(26)27-2/h4-7,10-11H,3,9,12H2,1-2H3