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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-nitrobenzoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C24H17N3O7 MolecularWeight: 459.40768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O7/c1-33-18-10-11-19-21(13-18)26(30)22(23(28)15-6-3-2-4-7-15)20(25-19)14-34-24(29)16-8-5-9-17(12-16)27(31)32/h2-13H,14H2,1H3