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

Systemtic Name: (E)-3-(5-azanyl-1-ethanoyl-3-methyl-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-5-amino-3-methyl-4-pyrazolyl)-2-benzamido-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-5-amino-3-methylpyrazol-4-yl)-2-benzamidoprop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-benzamido-acrylic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4/c1-9-12(14(17)20(19-9)10(2)21)8-13(16(23)24)18-15(22)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3,(H,18,22)(H,23,24)/b13-8+