methyl 6,7-bis(chloranyl)-3-[(4-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-3-[(4-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-3-[(4-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(4-nitrophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-3-[(4-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[(4-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H11Cl2N3O7 MolecularWeight: 452.20184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11Cl2N3O7/c1-29-18(25)16-14(21-13-6-11(19)12(20)7-15(13)22(16)26)8-30-17(24)9-2-4-10(5-3-9)23(27)28/h2-7H,8H2,1H3