O3-dodecyl O5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-dodecyl O5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-dodecyl O5-isopropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-dodecyl ester O5-propan-2-yl ester IUPAC Name: 3-O-dodecyl 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-lauryl ester Formula: C30H44N2O6 MolecularWeight: 528.68016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C

InChI

InChI=1S/C30H44N2O6/c1-6-7-8-9-10-11-12-13-14-15-19-37-29(33)26-22(4)31-23(5)27(30(34)38-21(2)3)28(26)24-17-16-18-25(20-24)32(35)36/h16-18,20-21,28,31H,6-15,19H2,1-5H3