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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 4-nitrobenzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-acetyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H11Cl2N3O6 MolecularWeight: 436.20244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl)[O-]

InChI

InChI=1S/C18H11Cl2N3O6/c1-9(24)17-15(21-14-6-12(19)13(20)7-16(14)22(17)26)8-29-18(25)10-2-4-11(5-3-10)23(27)28/h2-7H,8H2,1H3