2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-diethoxybenzyl)acetamide Formula: C17H21BrN4O5 MolecularWeight: 441.27644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C)OCC

InChI

InChI=1S/C17H21BrN4O5/c1-4-26-13-7-6-12(8-14(13)27-5-2)9-19-15(23)10-21-11(3)16(18)17(20-21)22(24)25/h6-8H,4-5,9-10H2,1-3H3,(H,19,23)