2-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(5-methyl-2-pyridin-1-iumyl)amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H13N4O4+ MolecularWeight: 313.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4/c1-9-2-5-13(16-7-9)17-8-18-14(20)11-4-3-10(19(22)23)6-12(11)15(18)21/h2-7H,8H2,1H3,(H,16,17)/p+1