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

Systemtic Name: 1-nitrooxypropan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: (1-methyl-2-nitrooxy-ethyl) 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 1-nitrooxypropan-2-yl ester IUPAC Name: 1-nitrooxypropan-2-yl 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 (1-methyl-2-nitrooxy-ethyl) ester Formula: C17H17N5O8 MolecularWeight: 419.34558

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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)OC(C)CO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O8/c1-8(7-28-22(26)27)29-17(23)13-9(2)18-10(3)16(21(24)25)14(13)11-5-4-6-12-15(11)20-30-19-12/h4-6,8,14,18H,7H2,1-3H3