bis(phenylmethyl) (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C=NC=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C=NC=C([C@@H]2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O6/c30-26(34-17-19-8-3-1-4-9-19)23-15-28-16-24(27(31)35-18-20-10-5-2-6-11-20)25(23)21-12-7-13-22(14-21)29(32)33/h1-16,23,25H,17-18H2/t23?,25-/m1/s1