2-(2-ethoxy-5-nitro-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(2-ethoxy-5-nitro-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(2-ethoxy-5-nitro-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(2-ethoxy-5-nitrophenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(2-ethoxy-5-nitrophenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(2-ethoxy-5-nitro-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C16H16N3O3+ MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C16H15N3O3/c1-2-22-15-8-7-12(19(20)21)9-14(15)18-10-11-5-3-4-6-13(11)16(18)17/h3-9,17H,2,10H2,1H3/p+1