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

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)carbonyloxymethyl]-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22Cl2N2O5 MolecularWeight: 477.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N2O5/c1-5-31-22(29)20-18(26-17-10-15(24)16(25)11-19(17)27(20)30)12-32-21(28)13-6-8-14(9-7-13)23(2,3)4/h6-11H,5,12H2,1-4H3