4-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-oxo-3-(3-pyridyl)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-(3-pyridinyl)prop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(3-pyridyl)prop-1-enyl]benzoate Formula: C15H10NO3- MolecularWeight: 252.2448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H11NO3/c17-14(13-2-1-9-16-10-13)8-5-11-3-6-12(7-4-11)15(18)19/h1-10H,(H,18,19)/p-1/b8-5+