(2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium

Systemtic Name: (2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium Openeye Name: (2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium CAS Name: (2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium IUPAC Name: (2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium Traditional Name: (2S)-2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-1,2-dihydropyridin-1-ium Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=C(C=C(C1C2=CC=CC=C2OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1C=C(C=C([C@@H]1C2=CC=CC=C2OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-14-8-9(15(17)18)7-11(16(19)20)13(14)10-5-3-4-6-12(10)21-2/h3-8,13H,1-2H3/p+1/t13-/m0/s1