4-(4-oxidanyl-4-oxidanylidene-butyl)-8-(quinoxalin-2-ylcarbonylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-(quinoxalin-2-ylcarbonylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-(quinoxaline-2-carbonylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo(2-quinoxalinyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-(quinoxaline-2-carbonylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-(quinoxaline-2-carbonylamino)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C22H20N4O6 MolecularWeight: 436.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)O

InChI

InChI=1S/C22H20N4O6/c27-19(28)9-4-10-26-12-18(22(30)31)32-20-15(7-3-8-17(20)26)25-21(29)16-11-23-13-5-1-2-6-14(13)24-16/h1-3,5-8,11,18H,4,9-10,12H2,(H,25,29)(H,27,28)(H,30,31)