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

Systemtic Name: diethyl (1S,2S,6R)-6-methyl-2-(3-nitrophenyl)-6-oxidanyl-4-phenylazanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O7/c1-4-33-23(28)21-19(26-17-11-7-6-8-12-17)15-25(3,30)22(24(29)34-5-2)20(21)16-10-9-13-18(14-16)27(31)32/h6-14,20,22,26,30H,4-5,15H2,1-3H3/t20-,22+,25+/m0/s1