[6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-nitrobenzoate

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-nitrobenzoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H13Cl2N3O6 MolecularWeight: 498.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl)Cl)[O-]

InChI

InChI=1S/C23H13Cl2N3O6/c24-16-10-18-20(11-17(16)25)27(31)21(22(29)13-5-2-1-3-6-13)19(26-18)12-34-23(30)14-7-4-8-15(9-14)28(32)33/h1-11H,12H2