methyl 2-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[(1-oxido-4-oxo-quinoxalin-4-ium-2-carbonyl)amino]-2-phenyl-acetate CAS Name: 2-[[(1-oxido-4-oxo-2-quinoxalin-4-iumyl)-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(1-oxido-4-oxoquinoxalin-4-ium-2-carbonyl)amino]-2-phenylacetate Traditional Name: 2-[(4-keto-1-oxido-quinoxalin-4-ium-2-carbonyl)amino]-2-phenyl-acetic acid methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C[N+](=O)C3=CC=CC=C3N2[O-]

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=C[N+](=O)C3=CC=CC=C3N2[O-]

InChI

InChI=1S/C18H15N3O5/c1-26-18(23)16(12-7-3-2-4-8-12)19-17(22)15-11-20(24)13-9-5-6-10-14(13)21(15)25/h2-11,16H,1H3,(H,19,22)