4-[[[4-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-4-chloro-3-oxo-but-1-enyl]anilino]methyl]benzoic acid CAS Name: 4-[[4-[(E)-4-chloro-3-oxobut-1-enyl]anilino]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-4-chloro-3-oxobut-1-enyl]anilino]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-4-chloro-3-keto-but-1-enyl]anilino]methyl]benzoic acid Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)C=CC(=O)CCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)/C=C/C(=O)CCl)C(=O)O

InChI

InChI=1S/C18H16ClNO3/c19-11-17(21)10-5-13-3-8-16(9-4-13)20-12-14-1-6-15(7-2-14)18(22)23/h1-10,20H,11-12H2,(H,22,23)/b10-5+