(E)-3-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-chlorophenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: (E)-3-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-chlorophenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(5-amino-3-methyl-1-phenyl-4-pyrazolyl)-2-[[(4-chlorophenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]acrylic acid Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C(=O)O)NC(=O)C2=CC=C(C=C2)Cl)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3/c1-12-16(18(22)25(24-12)15-5-3-2-4-6-15)11-17(20(27)28)23-19(26)13-7-9-14(21)10-8-13/h2-11H,22H2,1H3,(H,23,26)(H,27,28)/b17-11+