O3-decyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-decyl O5-(2-nitrooxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-decyl O5-(2-nitrooxyethyl) 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-decyl ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-decyl 5-O-(2-nitrooxyethyl) 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 O3-decyl ester O5-(2-nitrooxyethyl) ester Formula: C27H37N3O9 MolecularWeight: 547.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C)C

InChI

InChI=1S/C27H37N3O9/c1-4-5-6-7-8-9-10-11-15-37-26(31)23-19(2)28-20(3)24(27(32)38-16-17-39-30(35)36)25(23)21-13-12-14-22(18-21)29(33)34/h12-14,18,25,28H,4-11,15-17H2,1-3H3