bis(phenylmethyl) 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dibenzyl 2,6-dimethyl-4-(5-nitro-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(5-nitro-2-thiophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(5-nitro-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dibenzyl ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=C(S3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O6S/c1-17-23(26(30)34-15-19-9-5-3-6-10-19)25(21-13-14-22(36-21)29(32)33)24(18(2)28-17)27(31)35-16-20-11-7-4-8-12-20/h3-14,25,28H,15-16H2,1-2H3