(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl-prop-2-enyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (7-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl-prop-2-enyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: allyl-[(7-methoxy-2,3-dihydrobenzofuran-2-yl)methyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (7-methoxy-2,3-dihydrobenzofuran-2-yl)methyl-prop-2-enylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (7-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl-prop-2-enylazanium Traditional Name: allyl-[(7-methoxycoumaran-2-yl)methyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(C2)C[NH2+]CC=C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(C2)C[NH2+]CC=C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H17NO2.C4H4O4/c1-3-7-14-9-11-8-10-5-4-6-12(15-2)13(10)16-11;5-3(6)1-2-4(7)8/h3-6,11,14H,1,7-9H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-