ethyl 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O5/c1-4-31-20(28)16-12-21-25(15-8-6-5-7-9-15)19(16)22-17(27)10-11-24-14(3)18(26(29)30)13(2)23-24/h5-9,12H,4,10-11H2,1-3H3,(H,22,27)