2-[(E)-3-oxidanylidene-3-pyridin-4-yl-prop-1-enyl]benzoic acid

Systemtic Name: 2-[(E)-3-oxidanylidene-3-pyridin-4-yl-prop-1-enyl]benzoic acid Openeye Name: 2-[(E)-3-oxo-3-(4-pyridyl)prop-1-enyl]benzoic acid CAS Name: 2-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoic acid IUPAC Name: 2-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoic acid Traditional Name: 2-[(E)-3-keto-3-(4-pyridyl)prop-1-enyl]benzoic acid Formula: C15H11NO3 MolecularWeight: 253.25274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C15H11NO3/c17-14(12-7-9-16-10-8-12)6-5-11-3-1-2-4-13(11)15(18)19/h1-10H,(H,18,19)/b6-5+