(8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C15H18ClNO5 MolecularWeight: 327.76012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCCOC2=C1C=CC(=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH2+]C1CCCOC2=C1C=CC(=C2)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H14ClNO.C4H4O4/c1-13-10-3-2-6-14-11-7-8(12)4-5-9(10)11;5-3(6)1-2-4(7)8/h4-5,7,10,13H,2-3,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-