[2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-oxidanylhexyl carbonate

Systemtic Name: [2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-oxidanylhexyl carbonate Openeye Name: [2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-hydroxyhexyl carbonate CAS Name: carbonic acid [2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-hydroxyhexyl ester IUPAC Name: [2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-hydroxyhexyl carbonate Traditional Name: carbonic acid [2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl] 6-hydroxyhexyl ester Formula: C20H25N3O8 MolecularWeight: 435.4278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O8/c1-13-18(23(28)29)17(15-8-7-9-16(12-15)22(26)27)19(14(2)21-13)31-20(25)30-11-6-4-3-5-10-24/h7-9,12,17,21,24H,3-6,10-11H2,1-2H3