(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)methyl-ethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)methyl-ethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)methyl-ethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)methyl-ethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (5-chlorocoumaran-2-yl)methyl-ethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C15H18ClNO5 MolecularWeight: 327.76012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1CC2=C(O1)C=CC(=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH2+]CC1CC2=C(O1)C=CC(=C2)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H14ClNO.C4H4O4/c1-2-13-7-10-6-8-5-9(12)3-4-11(8)14-10;5-3(6)1-2-4(7)8/h3-5,10,13H,2,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-