N-[(3,4-diethoxyphenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3,4-diethoxybenzyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H22N4O5/c1-3-25-15-6-5-13(9-16(15)26-4-2)10-18-17(22)7-8-20-12-14(11-19-20)21(23)24/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,22)