(10-acetyloxy-2-nitro-isoquinolino[2,1-a]quinolin-5-ium-9-yl) ethanoate

Systemtic Name: (10-acetyloxy-2-nitro-isoquinolino[2,1-a]quinolin-5-ium-9-yl) ethanoate Openeye Name: (10-acetoxy-2-nitro-isoquinolino[2,1-a]quinolin-5-ium-9-yl) acetate CAS Name: acetic acid (10-acetyloxy-2-nitro-9-isoquinolino[2,1-a]quinolin-5-iumyl) ester IUPAC Name: (10-acetyloxy-2-nitroisoquinolino[2,1-a]quinolin-5-ium-9-yl) acetate Traditional Name: acetic acid (10-acetoxy-2-nitro-isoquinolino[2,1-a]quinolin-5-ium-9-yl) ester Formula: C21H15N2O6+ MolecularWeight: 391.3536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C=C[N+]3=C2C=CC4=C3C=CC(=C4)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C=C[N+]3=C2C=CC4=C3C=CC(=C4)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C21H15N2O6/c1-12(24)28-20-10-14-7-8-22-18-6-4-16(23(26)27)9-15(18)3-5-19(22)17(14)11-21(20)29-13(2)25/h3-11H,1-2H3/q+1