4-nitrooxybutyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 4-nitrooxybutyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 4-nitrooxybutyl ester Formula: C18H19N5O8 MolecularWeight: 433.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O8/c1-10-14(18(24)29-8-3-4-9-30-23(27)28)15(17(22(25)26)11(2)19-10)12-6-5-7-13-16(12)21-31-20-13/h5-7,15,19H,3-4,8-9H2,1-2H3