N-(3-methylphenyl)-4-nitro-1-oxidanidyl-pyridin-1-ium-3-amine

Systemtic Name: N-(3-methylphenyl)-4-nitro-1-oxidanidyl-pyridin-1-ium-3-amine Openeye Name: N-(m-tolyl)-4-nitro-1-oxido-pyridin-1-ium-3-amine CAS Name: N-(3-methylphenyl)-4-nitro-1-oxido-3-pyridin-1-iumamine IUPAC Name: N-(3-methylphenyl)-4-nitro-1-oxidopyridin-1-ium-3-amine Traditional Name: m-tolyl-(4-nitro-1-oxido-pyridin-1-ium-3-yl)amine Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C[N+](=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C[N+](=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3/c1-9-3-2-4-10(7-9)13-11-8-14(16)6-5-12(11)15(17)18/h2-8,13H,1H3