N-(2-ethanoyl-4,5-dimethoxy-phenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2-ethanoyl-4,5-dimethoxy-phenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-acetyl-4,5-dimethoxy-phenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-(2-acetyl-4,5-dimethoxyphenyl)-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-acetyl-4,5-dimethoxyphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-acetyl-4,5-dimethoxy-phenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H20N4O6/c1-13(26)17-8-19(30-2)20(31-3)9-18(17)23-21(27)15-6-4-14(5-7-15)11-24-12-16(10-22-24)25(28)29/h4-10,12H,11H2,1-3H3,(H,23,27)