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

Systemtic Name: O5-(2-nitrooxyethyl) O3-nonyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxyethyl) O3-nonyl 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 O5-(2-nitrooxyethyl) ester O3-nonyl ester IUPAC Name: 5-O-(2-nitrooxyethyl) 3-O-nonyl 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-(2-nitrooxyethyl) ester O3-nonyl ester Formula: C26H35N3O9 MolecularWeight: 533.5708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O9/c1-4-5-6-7-8-9-10-14-36-25(30)22-18(2)27-19(3)23(26(31)37-15-16-38-29(34)35)24(22)20-12-11-13-21(17-20)28(32)33/h11-13,17,24,27H,4-10,14-16H2,1-3H3