4-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4-cyanophenyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4-cyanophenyl)-3-keto-prop-1-enyl]benzoic acid Formula: C17H11NO3 MolecularWeight: 277.27414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO3/c18-11-13-3-6-14(7-4-13)16(19)10-5-12-1-8-15(9-2-12)17(20)21/h1-10H,(H,20,21)/b10-5+