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

Systemtic Name: (E)-3-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-methoxyphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(5-amino-3-methyl-1-phenyl-4-pyrazolyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-(p-anisoylamino)acrylic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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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)OC)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-13-17(19(22)25(24-13)15-6-4-3-5-7-15)12-18(21(27)28)23-20(26)14-8-10-16(29-2)11-9-14/h3-12H,22H2,1-2H3,(H,23,26)(H,27,28)/b18-12+