dimethyl 2-[(E)-4-[(3-bromophenyl)amino]but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4-[(3-bromophenyl)amino]but-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4-(3-bromoanilino)but-2-enyl]propanedioate CAS Name: 2-[(E)-4-(3-bromoanilino)but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-(3-bromoanilino)but-2-enyl]propanedioate Traditional Name: 2-[(E)-4-(3-bromoanilino)but-2-enyl]malonic acid dimethyl ester Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCNC1=CC(=CC=C1)Br)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CNC1=CC(=CC=C1)Br)C(=O)OC

InChI

InChI=1S/C15H18BrNO4/c1-20-14(18)13(15(19)21-2)8-3-4-9-17-12-7-5-6-11(16)10-12/h3-7,10,13,17H,8-9H2,1-2H3/b4-3+