(E)-4-[3-azanyl-1-(1,2-oxazol-3-yl)propoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-azanyl-1-(1,2-oxazol-3-yl)propoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3-amino-1-isoxazol-3-yl-propoxy)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-amino-1-(3-isoxazolyl)propoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-amino-1-(1,2-oxazol-3-yl)propoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3-amino-1-isoxazol-3-yl-propoxy)-4-keto-but-2-enoic acid Formula: C10H12N2O5 MolecularWeight: 240.21268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1C(CCN)OC(=O)C=CC(=O)O

Isomeric SMILES

C1=CON=C1C(CCN)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H12N2O5/c11-5-3-8(7-4-6-16-12-7)17-10(15)2-1-9(13)14/h1-2,4,6,8H,3,5,11H2,(H,13,14)/b2-1+