diethyl (1R,2S)-4-methyl-6-morpholin-4-yl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2S)-4-methyl-6-morpholin-4-yl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: diethyl (1R,2S)-4-methyl-6-morpholino-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2S)-4-methyl-6-(4-morpholinyl)-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2S)-4-methyl-6-morpholin-4-yl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2S)-4-methyl-6-morpholino-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid diethyl ester Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(C=C1N2CCOCC2)C)C(=O)OCC)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(C=C1N2CCOCC2)C)C(=O)OCC)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O7/c1-4-31-22(26)19-15(3)14-18(24-10-12-30-13-11-24)21(23(27)32-5-2)20(19)16-8-6-7-9-17(16)25(28)29/h6-9,14,20-21H,4-5,10-13H2,1-3H3/t20-,21-/m0/s1