1-methyl-3-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-[[2-(4-nitro-1-pyrazolyl)ethylamino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-3-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-4-carboxylic acid Formula: C11H12N6O5 MolecularWeight: 308.25018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N6O5/c1-15-6-8(11(19)20)9(14-15)10(18)12-2-3-16-5-7(4-13-16)17(21)22/h4-6H,2-3H2,1H3,(H,12,18)(H,19,20)