2-(4-methyl-3-nitro-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(4-methyl-3-nitro-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(4-methyl-3-nitrophenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-methyl-3-nitrophenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-methyl-3-nitro-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O2/c1-10-6-7-12(8-14(10)18(19)20)17-9-11-4-2-3-5-13(11)15(17)16/h2-8,16H,9H2,1H3/p+1