5-methoxycarbonyl-4-nitro-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-4-nitro-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-methoxycarbonyl-4-nitro-2-(2-pyridylmethyl)pyrazole-3-carboxylic acid CAS Name: 5-methoxycarbonyl-4-nitro-2-(2-pyridinylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-methoxycarbonyl-4-nitro-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-nitro-2-(2-pyridylmethyl)pyrazole-3-carboxylic acid Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC2=CC=CC=N2

InChI

InChI=1S/C12H10N4O6/c1-22-12(19)8-9(16(20)21)10(11(17)18)15(14-8)6-7-4-2-3-5-13-7/h2-5H,6H2,1H3,(H,17,18)