(4-methoxycarbonyl-1H-pyrazol-5-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (4-methoxycarbonyl-1H-pyrazol-5-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; (4-methoxycarbonyl-1H-pyrazol-5-yl)ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (4-methoxycarbonyl-1H-pyrazol-5-yl)ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (4-methoxycarbonyl-1H-pyrazol-5-yl)azanium Traditional Name: (4-carbomethoxy-1H-pyrazol-5-yl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C9H11N3O6 MolecularWeight: 257.20014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1)[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C1=C(NN=C1)[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C5H7N3O2.C4H4O4/c1-10-5(9)3-2-7-8-4(3)6;5-3(6)1-2-4(7)8/h2H,1H3,(H3,6,7,8);1-2H,(H,5,6)(H,7,8)/b;2-1-