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

Systemtic Name: methyl-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; methyl-[(7-methyl-2,3-dihydrobenzofuran-2-yl)methyl]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; methyl-[(7-methyl-2,3-dihydrobenzofuran-2-yl)methyl]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; methyl-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; methyl-[(7-methylcoumaran-2-yl)methyl]ammonium Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(C2)C[NH2+]C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1OC(C2)C[NH2+]C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H15NO.C4H4O4/c1-8-4-3-5-9-6-10(7-12-2)13-11(8)9;5-3(6)1-2-4(7)8/h3-5,10,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-