3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Formula: C14H13N4O4+ MolecularWeight: 301.27742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C14H12N4O4/c1-9-3-2-4-13(16-9)15-8-17-11-6-5-10(18(20)21)7-12(11)22-14(17)19/h2-7H,8H2,1H3,(H,15,16)/p+1