(E)-4-[1-(2-bromophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1-(2-bromophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(2-bromophenyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1-(2-bromophenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1-(2-bromophenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-(2-bromophenyl)ethylamino]-4-keto-but-2-enoic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H12BrNO3/c1-8(9-4-2-3-5-10(9)13)14-11(15)6-7-12(16)17/h2-8H,1H3,(H,14,15)(H,16,17)/b7-6+