methyl 2-[[3-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate

Systemtic Name: methyl 2-[[3-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[3-(4-isopentyloxyphenyl)-4-oxido-2-oxo-quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 2-[[3-[4-(3-methylbutoxy)phenyl]-4-oxido-2-oxo-1-quinoxalin-4-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[4-(3-methylbutoxy)phenyl]-4-oxido-2-oxoquinoxalin-4-ium-1-yl]oxymethyl]benzoate Traditional Name: 2-[[3-(4-isoamoxyphenyl)-2-keto-4-oxido-quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N(C2=O)OCC4=CC=CC=C4C(=O)OC)[O-]

InChI

InChI=1S/C28H28N2O6/c1-19(2)16-17-35-22-14-12-20(13-15-22)26-27(31)30(25-11-7-6-10-24(25)29(26)33)36-18-21-8-4-5-9-23(21)28(32)34-3/h4-15,19H,16-18H2,1-3H3