(Z)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: (Z)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (Z)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoic acid CAS Name: (Z)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (Z)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoic acid Traditional Name: (Z)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(p-toluoylamino)acrylic acid Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=C(N(N=C2C)C3=CC=CC=C3)Cl)/C(=O)O

InChI

InChI=1S/C21H18ClN3O3/c1-13-8-10-15(11-9-13)20(26)23-18(21(27)28)12-17-14(2)24-25(19(17)22)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,23,26)(H,27,28)/b18-12-