(E)-4-(1-methylpyrazol-4-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-methylpyrazol-4-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1-methylpyrazol-4-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-methyl-4-pyrazolyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-methylpyrazol-4-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(1-methylpyrazol-4-yl)but-2-enoic acid Formula: C8H8N2O3 MolecularWeight: 180.16072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)C=CC(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C8H8N2O3/c1-10-5-6(4-9-10)7(11)2-3-8(12)13/h2-5H,1H3,(H,12,13)/b3-2+