methyl 3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(3-nitrophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7/c1-27-18(23)16-14(19-13-7-2-3-8-15(13)20(16)24)10-28-17(22)11-5-4-6-12(9-11)21(25)26/h2-9H,10H2,1H3