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

Systemtic Name: methyl 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate Openeye Name: methyl 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]pyrazole-3-carboxylic acid methyl ester Formula: C15H20N6O5 MolecularWeight: 364.3565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1C(=O)OC)CC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N6O5/c1-5-11(20-9(3)7-12(17-20)21(24)25)14(22)16-10-8-19(6-2)18-13(10)15(23)26-4/h7-8,11H,5-6H2,1-4H3,(H,16,22)