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

Systemtic Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H13N3O3/c1-17-9-10(8-15-17)5-6-13(18)16-12-4-2-3-11(7-12)14(19)20/h2-9H,1H3,(H,16,18)(H,19,20)/b6-5+