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

Systemtic Name: 2-(4-methoxy-2-nitro-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(4-methoxy-2-nitro-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(4-methoxy-2-nitrophenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(4-methoxy-2-nitrophenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(4-methoxy-2-nitro-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C15H14N3O3+ MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3/c1-21-11-6-7-13(14(8-11)18(19)20)17-9-10-4-2-3-5-12(10)15(17)16/h2-8,16H,9H2,1H3/p+1