2-morpholin-4-yl-5-[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]benzoic acid Openeye Name: 5-[[(Z)-4-hydroxy-4-oxo-but-2-enoyl]amino]-2-morpholino-benzoic acid CAS Name: 5-[[(Z)-4-hydroxy-1,4-dioxobut-2-enyl]amino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[(Z)-4-hydroxy-4-oxobut-2-enoyl]amino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[(Z)-4-hydroxy-4-keto-but-2-enoyl]amino]-2-morpholino-benzoic acid Formula: C15H16N2O6 MolecularWeight: 320.29734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)C=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)/C=C\C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O6/c18-13(3-4-14(19)20)16-10-1-2-12(11(9-10)15(21)22)17-5-7-23-8-6-17/h1-4,9H,5-8H2,(H,16,18)(H,19,20)(H,21,22)/b4-3-