4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[(4-chlorobenzyl)amino]-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N)Cl

InChI

InChI=1S/C18H13ClN2O3/c19-16-7-3-13(4-8-16)11-21-17(22)15(10-20)9-12-1-5-14(6-2-12)18(23)24/h1-9H,11H2,(H,21,22)(H,23,24)/b15-9+