methyl 2-[[3-(3-nitrophenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate

Systemtic Name: methyl 2-[[3-(3-nitrophenyl)-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[3-(3-nitrophenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 2-[[3-(3-nitrophenyl)-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(3-nitrophenyl)-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 2-[[2-keto-3-(3-nitrophenyl)-4-oxido-quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C23H17N3O7 MolecularWeight: 447.39698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H17N3O7/c1-32-23(28)18-10-3-2-7-16(18)14-33-25-20-12-5-4-11-19(20)24(29)21(22(25)27)15-8-6-9-17(13-15)26(30)31/h2-13H,14H2,1H3