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

Systemtic Name: N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(4-methoxyphenyl)-4-oxanyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methyl]-3,5-dinitro-benzamide Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-29-18-4-2-15(3-5-18)20(6-8-30-9-7-20)13-21-19(24)14-10-16(22(25)26)12-17(11-14)23(27)28/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)