N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-homoveratryl-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O5/c1-5-14(21-12(2)10-17(20-21)22(24)25)18(23)19-9-8-13-6-7-15(26-3)16(11-13)27-4/h6-7,10-11,14H,5,8-9H2,1-4H3,(H,19,23)