methyl 4-(9-oxidanidyl-7-oxidanyl-acenaphthyleno[1,2-d]imidazol-9-ium-8-yl)benzoate

Systemtic Name: methyl 4-(9-oxidanidyl-7-oxidanyl-acenaphthyleno[1,2-d]imidazol-9-ium-8-yl)benzoate Openeye Name: methyl 4-(7-hydroxy-9-oxido-acenaphthyleno[1,2-d]imidazol-9-ium-8-yl)benzoate CAS Name: 4-(7-hydroxy-9-oxido-8-acenaphthyleno[1,2-d]imidazol-9-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-hydroxy-9-oxidoacenaphthyleno[1,2-d]imidazol-9-ium-8-yl)benzoate Traditional Name: 4-(7-hydroxy-9-oxido-acenaphth[1,2-d]imidazol-9-ium-8-yl)benzoic acid methyl ester Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=[N+](C3=C(N2O)C4=CC=CC5=C4C3=CC=C5)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=[N+](C3=C(N2O)C4=CC=CC5=C4C3=CC=C5)[O-]

InChI

InChI=1S/C21H14N2O4/c1-27-21(24)14-10-8-13(9-11-14)20-22(25)18-15-6-2-4-12-5-3-7-16(17(12)15)19(18)23(20)26/h2-11,25H,1H3