6-oxidanylhexyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 6-oxidanylhexyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 6-hydroxyhexyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 6-hydroxyhexyl ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c1-13-17(20(25)30-11-6-4-3-5-10-24)18(19(23(28)29)14(2)21-13)15-8-7-9-16(12-15)22(26)27/h7-9,12,18,21,24H,3-6,10-11H2,1-2H3