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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-18-10-12(9-17-18)4-7-14(19)16-8-11-2-5-13(6-3-11)15(20)21/h2-7,9-10H,8H2,1H3,(H,16,19)(H,20,21)/b7-4+