[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H22BrNO5/c1-4-27-18-11-5-15(13-19(18)26-3)6-12-20(24)28-14(2)21(25)23-17-9-7-16(22)8-10-17/h5-14H,4H2,1-3H3,(H,23,25)/b12-6+