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

Systemtic Name: 2-nitrooxyethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-nitrooxyethyl 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 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 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 2-nitrooxyethyl ester Formula: C16H15N5O8 MolecularWeight: 405.319

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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)OCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O8/c1-8-12(16(22)27-6-7-28-21(25)26)13(15(20(23)24)9(2)17-8)10-4-3-5-11-14(10)19-29-18-11/h3-5,13,17H,6-7H2,1-2H3