O1-ethyl O3-methyl (1R,2S)-4-methyl-6-morpholin-4-yl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-methyl (1R,2S)-4-methyl-6-morpholin-4-yl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-methyl (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 O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl (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 O1-ethyl ester O3-methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-4-31-22(26)20-17(23-9-11-30-12-10-23)13-14(2)18(21(25)29-3)19(20)15-7-5-6-8-16(15)24(27)28/h5-8,13,19-20H,4,9-12H2,1-3H3/t19-,20-/m0/s1