4-[[(E)-2-cyano-3-pyridin-4-yl-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-pyridin-4-yl-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(4-pyridyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-pyridin-4-ylprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-pyridin-4-ylprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-pyridyl)acryloyl]amino]benzoate Formula: C16H10N3O3- MolecularWeight: 292.2689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)C(=CC2=CC=NC=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)/C(=C/C2=CC=NC=C2)/C#N

InChI

InChI=1S/C16H11N3O3/c17-10-13(9-11-5-7-18-8-6-11)15(20)19-14-3-1-12(2-4-14)16(21)22/h1-9H,(H,19,20)(H,21,22)/p-1/b13-9+