ethyl-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: ethyl-[(7-methyl-2,3-dihydrobenzofuran-2-yl)methyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: ethyl-[(7-methyl-2,3-dihydrobenzofuran-2-yl)methyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: ethyl-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: ethyl-[(7-methylcoumaran-2-yl)methyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO.C4H4O4/c1-3-13-8-11-7-10-6-4-5-9(2)12(10)14-11;5-3(6)1-2-4(7)8/h4-6,11,13H,3,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-