4-[2-(3-chlorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[2-(3-chlorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[2-(3-chlorophenyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: 4-[2-(3-chlorophenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: 4-[2-(3-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: 4-[2-(3-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(=C1)Cl)CCNC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

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