bis(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(6-nitrooxyhexyl) 2-azanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(6-nitrooxyhexyl) 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 bis(6-nitrooxyhexyl) ester IUPAC Name: bis(6-nitrooxyhexyl) 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 bis(6-nitrooxyhexyl) ester Formula: C26H35N5O12 MolecularWeight: 609.5824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O12/c1-18-21(25(32)40-13-6-2-4-8-15-42-30(36)37)22(19-11-10-12-20(17-19)29(34)35)23(24(27)28-18)26(33)41-14-7-3-5-9-16-43-31(38)39/h10-12,17,22,28H,2-9,13-16,27H2,1H3