N3-(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N3-(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N3-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N3-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 3-N-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N'-(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-5-nitro-isophthalamide Formula: C15H19N3O7 MolecularWeight: 353.32726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(CO1)O)NC(=O)C2=CC(=CC(=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(C(CO1)O)NC(=O)C2=CC(=CC(=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C15H19N3O7/c1-15(2)24-6-11(12(19)7-25-15)17-14(21)9-3-8(13(16)20)4-10(5-9)18(22)23/h3-5,11-12,19H,6-7H2,1-2H3,(H2,16,20)(H,17,21)