N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-homoveratryl-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c1-11(20-10-13(21(23)24)17(19-20)27-4)16(22)18-8-7-12-5-6-14(25-2)15(9-12)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,18,22)