ethyl 2,2-dimethyl-5-[(4-methyl-2-nitro-phenyl)diazenyl]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: ethyl 2,2-dimethyl-5-[(4-methyl-2-nitro-phenyl)diazenyl]-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: ethyl 2,2-dimethyl-5-(4-methyl-2-nitro-phenyl)azo-4,6-dioxo-cyclohexanecarboxylate CAS Name: 2,2-dimethyl-5-(4-methyl-2-nitrophenyl)azo-4,6-dioxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-5-[(4-methyl-2-nitrophenyl)diazenyl]-4,6-dioxocyclohexane-1-carboxylate Traditional Name: 4,6-diketo-2,2-dimethyl-5-(4-methyl-2-nitro-phenyl)azo-cyclohexanecarboxylic acid ethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)C(C(=O)CC1(C)C)N=NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(=O)C(C(=O)CC1(C)C)N=NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-5-27-17(24)14-16(23)15(13(22)9-18(14,3)4)20-19-11-7-6-10(2)8-12(11)21(25)26/h6-8,14-15H,5,9H2,1-4H3