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

Systemtic Name: 4-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C15H12N4O3 MolecularWeight: 296.28078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=C(C=N1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12N4O3/c1-19-9-10(8-17-19)6-12(7-16)14(20)18-13-4-2-11(3-5-13)15(21)22/h2-6,8-9H,1H3,(H,18,20)(H,21,22)/b12-6+