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

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethoxy]methyl]-6,7-dichloro-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)oxymethyl]-6,7-dichloro-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-tert-butylbenzoyl)oxymethyl]-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C22H20Cl2N2O5 MolecularWeight: 463.3106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O5/c1-22(2,3)13-7-5-12(6-8-13)20(27)31-11-17-19(21(28)30-4)26(29)18-10-15(24)14(23)9-16(18)25-17/h5-10H,11H2,1-4H3