2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)propyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)propyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)propyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(3-methylphenoxy)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)propyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(3-methylphenoxy)propyl]acetamide Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O4/c1-12-6-4-7-15(10-12)25-9-5-8-18-16(22)11-20-14(3)17(21(23)24)13(2)19-20/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,22)