3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(3,4-diethoxybenzyl)propionamide Formula: C17H21BrN4O5 MolecularWeight: 441.27644

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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-])Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O5/c1-3-26-14-6-5-12(9-15(14)27-4-2)10-19-16(23)7-8-21-11-13(18)17(20-21)22(24)25/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,23)