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

Systemtic Name: 4-[(E)-3-(3-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3-chlorophenyl)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(3-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3-chlorophenyl)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C17H10ClNO3 MolecularWeight: 311.7192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClNO3/c18-15-3-1-2-13(9-15)16(20)14(10-19)8-11-4-6-12(7-5-11)17(21)22/h1-9H,(H,21,22)/b14-8+