5-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid

Systemtic Name: 5-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid Openeye Name: 5-methyl-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]benzoic acid CAS Name: 5-methyl-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid Traditional Name: 5-methyl-2-[[(E)-3-(3-pyridyl)acryloyl]amino]benzoic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C=CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C16H14N2O3/c1-11-4-6-14(13(9-11)16(20)21)18-15(19)7-5-12-3-2-8-17-10-12/h2-10H,1H3,(H,18,19)(H,20,21)/b7-5+