diethyl 6-methyl-4-(methylamino)-2-(3-nitrophenyl)-6-oxidanyl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: diethyl 6-methyl-4-(methylamino)-2-(3-nitrophenyl)-6-oxidanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl 6-hydroxy-6-methyl-4-(methylamino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: 6-hydroxy-6-methyl-4-(methylamino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-hydroxy-6-methyl-4-(methylamino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate Traditional Name: 6-hydroxy-6-methyl-4-(methylamino)-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(CC1(C)O)NC)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C(=C(CC1(C)O)NC)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O7/c1-5-28-18(23)16-14(21-4)11-20(3,25)17(19(24)29-6-2)15(16)12-8-7-9-13(10-12)22(26)27/h7-10,15,17,21,25H,5-6,11H2,1-4H3