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

Systemtic Name: ethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O5/c1-4-16(24-13(3)11-17(23-24)26(29)30)19(27)22-18-15(20(28)31-5-2)12-21-25(18)14-9-7-6-8-10-14/h6-12,16H,4-5H2,1-3H3,(H,22,27)