2-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C19H19ClN4O3/c1-3-4-9-24-17(20)15(12(2)23-24)10-13(11-21)18(25)22-16-8-6-5-7-14(16)19(26)27/h5-8,10H,3-4,9H2,1-2H3,(H,22,25)(H,26,27)/b13-10+