N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]-4-nitro-benzamide Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O6/c1-27-18-8-5-16(13-19(18)28-2)21(9-11-29-12-10-21)14-22-20(24)15-3-6-17(7-4-15)23(25)26/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)