2-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid Openeye Name: 2-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid CAS Name: 2-methyl-4-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid Traditional Name: 2-methyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N=C1)C)C(=O)O)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(N(N=C1)C)C(=O)O)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N6O5/c1-4-9(18-7(2)5-10(16-18)19(23)24)12(20)15-8-6-14-17(3)11(8)13(21)22/h5-6,9H,4H2,1-3H3,(H,15,20)(H,21,22)