methyl 2-[(3-methyl-1-oxidanidyl-quinoxalin-1-ium-2-yl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[(3-methyl-1-oxidanidyl-quinoxalin-1-ium-2-yl)carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]-2-phenyl-acetate CAS Name: 2-[[(3-methyl-1-oxido-2-quinoxalin-1-iumyl)-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-1-oxidoquinoxalin-1-ium-2-carbonyl)amino]-2-phenylacetate Traditional Name: 2-[(3-methyl-1-oxido-quinoxalin-1-ium-2-carbonyl)amino]-2-phenyl-acetic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2[N+](=C1C(=O)NC(C3=CC=CC=C3)C(=O)OC)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2[N+](=C1C(=O)NC(C3=CC=CC=C3)C(=O)OC)[O-]

InChI

InChI=1S/C19H17N3O4/c1-12-17(22(25)15-11-7-6-10-14(15)20-12)18(23)21-16(19(24)26-2)13-8-4-3-5-9-13/h3-11,16H,1-2H3,(H,21,23)