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

Systemtic Name: 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H14N4O3/c21-11-16(19(25)23-17-8-6-15(7-9-17)20(26)27)10-14-12-22-24(13-14)18-4-2-1-3-5-18/h1-10,12-13H,(H,23,25)(H,26,27)/b16-10+