3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C=CC2=CN(N=C2)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)/C=C/C2=CN(N=C2)C)C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-10-4-3-5-12(15(20)21)14(10)17-13(19)7-6-11-8-16-18(2)9-11/h3-9H,1-2H3,(H,17,19)(H,20,21)/b7-6+