(E)-2-benzamido-3-[3,5-bis(azanyl)-1-ethanoyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3,5-bis(azanyl)-1-ethanoyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-3,5-diamino-pyrazol-4-yl)-2-benzamido-prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-3,5-diamino-4-pyrazolyl)-2-benzamido-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-3,5-diaminopyrazol-4-yl)-2-benzamidoprop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-3,5-diamino-pyrazol-4-yl)-2-benzamido-acrylic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(C(=N1)N)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(=O)N1C(=C(C(=N1)N)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C15H15N5O4/c1-8(21)20-13(17)10(12(16)19-20)7-11(15(23)24)18-14(22)9-5-3-2-4-6-9/h2-7H,17H2,1H3,(H2,16,19)(H,18,22)(H,23,24)/b11-7+