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

Systemtic Name: methyl 4-[(3-methyl-4-oxidanidyl-2-oxidanylidene-quinoxalin-4-ium-1-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(3-methyl-4-oxido-2-oxo-quinoxalin-4-ium-1-yl)oxymethyl]benzoate CAS Name: 4-[(3-methyl-4-oxido-2-oxo-1-quinoxalin-4-iumyl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-4-oxido-2-oxoquinoxalin-4-ium-1-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-3-methyl-4-oxido-quinoxalin-4-ium-1-yl)oxymethyl]benzoic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=C(C=C3)C(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N(C1=O)OCC3=CC=C(C=C3)C(=O)OC)[O-]

InChI

InChI=1S/C18H16N2O5/c1-12-17(21)20(16-6-4-3-5-15(16)19(12)23)25-11-13-7-9-14(10-8-13)18(22)24-2/h3-10H,11H2,1-2H3