[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)Br

Isomeric SMILES

C/C=C/C(=O)OC(C)C(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H14BrNO3/c1-3-4-12(16)18-9(2)13(17)15-11-7-5-10(14)6-8-11/h3-9H,1-2H3,(H,15,17)/b4-3+