diphenethyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diphenethyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diphenethyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diphenethyl ester IUPAC Name: diphenethyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diphenethyl ester Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C31H30N2O6/c1-21-27(30(34)38-18-16-23-10-5-3-6-11-23)29(25-14-9-15-26(20-25)33(36)37)28(22(2)32-21)31(35)39-19-17-24-12-7-4-8-13-24/h3-15,20,27,29H,16-19H2,1-2H3/t27?,29-/m0/s1