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

Systemtic Name: 3-methyl-4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-14-11-16(20(25)26)8-9-18(14)22-19(24)10-7-15-12-21-23(13-15)17-5-3-2-4-6-17/h2-13H,1H3,(H,22,24)(H,25,26)/b10-7+