N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl]-3,5-dinitro-benzamide Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8/c1-30-18-4-3-15(11-19(18)31-2)21(5-7-32-8-6-21)13-22-20(25)14-9-16(23(26)27)12-17(10-14)24(28)29/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,25)