[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O5/c1-6-20(4,5)21-17(25)12-29-19(26)16-9-7-15(8-10-16)11-23-14(3)18(24(27)28)13(2)22-23/h7-10H,6,11-12H2,1-5H3,(H,21,25)