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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NCC1=CC=C(C=C1)Cl)/C(=O)O

InChI

InChI=1S/C12H12ClNO3/c1-8(12(16)17)6-11(15)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b8-6+