methyl 2-methyl-2-nitrooxy-4-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]butanoate

Systemtic Name: methyl 2-methyl-2-nitrooxy-4-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]butanoate Openeye Name: methyl 2-methyl-2-nitrooxy-4-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)butanoate CAS Name: 2-methyl-2-nitrooxy-4-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)butanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-nitrooxy-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoate Traditional Name: 4-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-2-methyl-2-nitrooxy-butyric acid methyl ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C(=O)OC)O[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(C(=O)OC)O[N+](=O)[O-])C

InChI

InChI=1S/C15H19NO7/c1-8-9(2)13(18)11(10(3)12(8)17)6-7-15(4,14(19)22-5)23-16(20)21/h6-7H2,1-5H3