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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-10-3-5-12(15(20)21)7-13(10)17-14(19)6-4-11-8-16-18(2)9-11/h3-9H,1-2H3,(H,17,19)(H,20,21)/b6-4+