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

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-nitro-4-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(1-oxidobenzofurazan-1-ium-5-yl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C15H14N4O6 MolecularWeight: 346.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC3=NO[N+](=C3C=C2)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC3=NO[N+](=C3C=C2)[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O6/c1-7-12(15(20)24-3)13(14(18(21)22)8(2)16-7)9-4-5-11-10(6-9)17-25-19(11)23/h4-6,13,16H,1-3H3