ethyl 6,7-bis(chloranyl)-3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[(3-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(3-nitrophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[(3-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[(3-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C19H13Cl2N3O7 MolecularWeight: 466.22842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2N3O7/c1-2-30-19(26)17-15(22-14-7-12(20)13(21)8-16(14)23(17)27)9-31-18(25)10-4-3-5-11(6-10)24(28)29/h3-8H,2,9H2,1H3