2-[[4-(7-oxidanylidene-1H-quinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(7-oxidanylidene-1H-quinoxalin-2-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(7-oxo-1H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[oxo-[4-(7-oxo-1H-quinoxalin-2-yl)-1-piperazinyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(7-oxo-1H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(7-keto-1H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C3C=CC(=O)C=C3N2)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CN=C3C=CC(=O)C=C3N2)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H19N5O4/c26-13-5-6-16-17(11-13)22-18(12-21-16)24-7-9-25(10-8-24)20(29)23-15-4-2-1-3-14(15)19(27)28/h1-6,11-12,22H,7-10H2,(H,23,29)(H,27,28)