4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-(3,4-diethoxybenzyl)benzamide Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C22H23ClN4O5/c1-3-31-19-10-7-16(11-20(19)32-4-2)12-24-22(28)17-8-5-15(6-9-17)13-26-14-18(23)21(25-26)27(29)30/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,28)