4-(4-chloranyl-2-nitro-phenoxy)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-veratryl-benzamide Formula: C22H19ClN2O6 MolecularWeight: 442.84906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H19ClN2O6/c1-29-20-9-3-14(11-21(20)30-2)13-24-22(26)15-4-7-17(8-5-15)31-19-10-6-16(23)12-18(19)25(27)28/h3-12H,13H2,1-2H3,(H,24,26)