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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3/c17-9-12(8-11-4-3-7-18-10-11)15(20)19-14-6-2-1-5-13(14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)/p-1/b12-8+