methyl 4-(3-oxidanidyl-1-oxidanyl-phenanthro[9,10-d]imidazol-3-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-oxidanidyl-1-oxidanyl-phenanthro[9,10-d]imidazol-3-ium-2-yl)benzoate Openeye Name: methyl 4-(1-hydroxy-3-oxido-phenanthro[9,10-d]imidazol-3-ium-2-yl)benzoate CAS Name: 4-(1-hydroxy-3-oxido-2-phenanthro[9,10-d]imidazol-3-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxy-3-oxidophenanthro[9,10-d]imidazol-3-ium-2-yl)benzoate Traditional Name: 4-(1-hydroxy-3-oxido-phenanthr[9,10-d]imidazol-3-ium-2-yl)benzoic acid methyl ester Formula: C23H16N2O4 MolecularWeight: 384.38414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=[N+](C3=C(N2O)C4=CC=CC=C4C5=CC=CC=C53)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=[N+](C3=C(N2O)C4=CC=CC=C4C5=CC=CC=C53)[O-]

InChI

InChI=1S/C23H16N2O4/c1-29-23(26)15-12-10-14(11-13-15)22-24(27)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21(20)25(22)28/h2-13,27H,1H3