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

Systemtic Name: 4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-17-8-9(7-15-17)2-5-13(19)16-10-3-4-11(14(20)21)12(18)6-10/h2-8,18H,1H3,(H,16,19)(H,20,21)/b5-2+