[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-nitrobenzoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-nitrobenzoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H15N3O6 MolecularWeight: 429.3817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O6/c27-22(15-7-2-1-3-8-15)21-19(24-18-11-4-5-12-20(18)25(21)29)14-32-23(28)16-9-6-10-17(13-16)26(30)31/h1-13H,14H2