(E)-3-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid

Systemtic Name: (E)-3-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid Openeye Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid CAS Name: (E)-3-(5-amino-3-methyl-1-phenyl-4-pyrazolyl)-2-benzamido-2-propenoic acid IUPAC Name: (E)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2-benzamidoprop-2-enoic acid Traditional Name: (E)-3-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)-2-benzamido-acrylic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-13-16(18(21)24(23-13)15-10-6-3-7-11-15)12-17(20(26)27)22-19(25)14-8-4-2-5-9-14/h2-12H,21H2,1H3,(H,22,25)(H,26,27)/b17-12+