N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-homoveratryl-3-(3-nitropyrazol-1-yl)propionamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC(=N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C=CC(=N2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N4O5/c1-24-13-4-3-12(11-14(13)25-2)5-8-17-16(21)7-10-19-9-6-15(18-19)20(22)23/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,17,21)