7,7-dimethyl-8-methylidene-5-[(4-nitrophenyl)-oxidanyl-methyl]-1,4-dioxocan-6-one

Systemtic Name: 7,7-dimethyl-8-methylidene-5-[(4-nitrophenyl)-oxidanyl-methyl]-1,4-dioxocan-6-one Openeye Name: 5-[hydroxy-(4-nitrophenyl)methyl]-7,7-dimethyl-8-methylene-1,4-dioxocan-6-one CAS Name: 5-[hydroxy-(4-nitrophenyl)methyl]-7,7-dimethyl-8-methylene-1,4-dioxocan-6-one IUPAC Name: 5-[hydroxy-(4-nitrophenyl)methyl]-7,7-dimethyl-8-methylidene-1,4-dioxocan-6-one Traditional Name: 5-[hydroxy-(4-nitrophenyl)methyl]-7,7-dimethyl-8-methylene-1,4-dioxocan-6-one Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)OCCOC(C1=O)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(=C)OCCOC(C1=O)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H19NO6/c1-10-16(2,3)15(19)14(23-9-8-22-10)13(18)11-4-6-12(7-5-11)17(20)21/h4-7,13-14,18H,1,8-9H2,2-3H3