diethyl 2-methyl-4-(3-nitrophenyl)-6-[[(4-nitrophenyl)-oxidanyl-methyl]sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[[(4-nitrophenyl)-oxidanyl-methyl]sulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[[hydroxy-(4-nitrophenyl)methyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[hydroxy-(4-nitrophenyl)methyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[hydroxy-(4-nitrophenyl)methyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[[hydroxy-(4-nitrophenyl)methyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H27N3O9S MolecularWeight: 557.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(C3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(C3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C26H27N3O9S/c1-4-37-24(30)21-15(3)27-20(14-39-26(32)16-9-11-18(12-10-16)28(33)34)23(25(31)38-5-2)22(21)17-7-6-8-19(13-17)29(35)36/h6-13,22,26-27,32H,4-5,14H2,1-3H3