(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6/c1-11(22)17-15(19-14-4-2-3-5-16(14)20(17)24)10-27-18(23)12-6-8-13(9-7-12)21(25)26/h2-9H,10H2,1H3