4-[[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(3-keto-4H-quinoxalin-2-yl)propanoylamino]methyl]benzoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4/c23-17(20-11-12-5-7-13(8-6-12)19(25)26)10-9-16-18(24)22-15-4-2-1-3-14(15)21-16/h1-8H,9-11H2,(H,20,23)(H,22,24)(H,25,26)