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

Systemtic Name: (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(4-chlorophenyl)ethylamino]-4-keto-but-2-enoic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C=CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)/C=C/C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+