[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)Br

InChI

InChI=1S/C21H19BrN2O5/c1-14-11-16(5-6-17(14)22)24-20(25)13-29-21(26)8-4-15-3-7-18(28-10-9-23)19(12-15)27-2/h3-8,11-12H,10,13H2,1-2H3,(H,24,25)