methyl 2-[(3-methyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[(3-methyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[(3-methyl-4-oxido-quinoxalin-4-ium-2-carbonyl)amino]-2-phenyl-acetate CAS Name: 2-[[(3-methyl-4-oxido-2-quinoxalin-4-iumyl)-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-4-oxidoquinoxalin-4-ium-2-carbonyl)amino]-2-phenylacetate Traditional Name: 2-[(3-methyl-4-oxido-quinoxalin-4-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=[N+](C2=CC=CC=C2N=C1C(=O)NC(C3=CC=CC=C3)C(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N=C1C(=O)NC(C3=CC=CC=C3)C(=O)OC)[O-]

InChI

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