4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-homoveratryl-benzamide Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C21H21ClN4O5/c1-30-18-8-5-14(11-19(18)31-2)9-10-23-21(27)16-6-3-15(4-7-16)12-25-13-17(22)20(24-25)26(28)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,27)