N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]phenyl]-3-methyl-butyramide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-11(2)9-17(24)19-15-7-5-14(6-8-15)16(23)10-21-13(4)18(22(25)26)12(3)20-21/h5-8,11H,9-10H2,1-4H3,(H,19,24)