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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

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