O5-(2-nitrooxycyclohexyl) O3-(3-nitrooxypropyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-nitrooxycyclohexyl) O3-(3-nitrooxypropyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-nitrooxycyclohexyl) O3-(3-nitrooxypropyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-nitrooxycyclohexyl) ester O3-(3-nitrooxypropyl) ester IUPAC Name: 5-O-(2-nitrooxycyclohexyl) 3-O-(3-nitrooxypropyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-nitrooxycyclohexyl) ester O3-(3-nitrooxypropyl) ester Formula: C23H27N5O12 MolecularWeight: 565.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)OCCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCC3O[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)OCCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCCC3O[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O12/c1-13-18(23(30)39-16-8-2-3-9-17(16)40-28(35)36)19(14-6-4-7-15(12-14)26(31)32)20(21(24)25-13)22(29)37-10-5-11-38-27(33)34/h4,6-7,12,16-17,19,25H,2-3,5,8-11,24H2,1H3