N-[2-(4-nitrophenyl)-6-oxidanylidene-isoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-[2-(4-nitrophenyl)-6-oxidanylidene-isoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-[2-(4-nitrophenyl)-6-oxo-isoquinolin-2-ium-2-yl]acetamide CAS Name: N-[2-(4-nitrophenyl)-6-oxo-2-isoquinolin-2-iumyl]acetamide IUPAC Name: N-[2-(4-nitrophenyl)-6-oxoisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-[6-keto-2-(4-nitrophenyl)isoquinolin-2-ium-2-yl]acetamide Formula: C17H14N3O4+ MolecularWeight: 324.31076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(C=CC2=CC(=O)C=CC2=C1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[N+]1(C=CC2=CC(=O)C=CC2=C1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c1-12(21)18-20(16-5-3-15(4-6-16)19(23)24)9-8-13-10-17(22)7-2-14(13)11-20/h2-11H,1H3/p+1