ethyl 7-ethoxy-3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[(3-nitrophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-3-[(3-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O8/c1-3-30-15-8-9-16-18(11-15)23(27)19(21(26)31-4-2)17(22-16)12-32-20(25)13-6-5-7-14(10-13)24(28)29/h5-11H,3-4,12H2,1-2H3