[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-12(2)9-18(26)21-16-7-5-15(6-8-16)17(25)11-30-19(27)10-23-14(4)20(24(28)29)13(3)22-23/h5-8,12H,9-11H2,1-4H3,(H,21,26)