2-[(4-oxidanylidene-1H-pyrido[3,2-f]quinoxalin-4-ium-3-yl)carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1H-pyrido[3,2-f]quinoxalin-4-ium-3-yl)carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[(4-oxo-1H-pyrido[3,2-f]quinoxalin-4-ium-3-carbonyl)amino]-2-phenyl-acetic acid CAS Name: 2-[[oxo-(4-oxo-1H-pyrido[3,2-f]quinoxalin-4-ium-3-yl)methyl]amino]-2-phenylacetic acid IUPAC Name: 2-[(4-oxo-1H-pyrido[3,2-f]quinoxalin-4-ium-3-carbonyl)amino]-2-phenylacetic acid Traditional Name: 2-[(4-keto-1H-pyrido[3,2-f]quinoxalin-4-ium-3-carbonyl)amino]-2-phenyl-acetic acid Formula: C20H15N4O4+ MolecularWeight: 375.3575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CNC3=C([N+]2=O)C=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CNC3=C([N+]2=O)C=CC4=C3C=CC=N4

InChI

InChI=1S/C20H14N4O4/c25-19(23-17(20(26)27)12-5-2-1-3-6-12)16-11-22-18-13-7-4-10-21-14(13)8-9-15(18)24(16)28/h1-11,17H,(H2-,21,22,23,25,26,27,28)/p+1