ethyl 1-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C14H18N6O5 MolecularWeight: 350.32992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O5/c1-4-11(19-8-9(6-16-19)20(23)24)13(21)17-12-10(7-15-18(12)3)14(22)25-5-2/h6-8,11H,4-5H2,1-3H3,(H,17,21)