dimethyl (E)-2-(2-oxidanylideneazepan-1-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(2-oxidanylideneazepan-1-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(2-oxoazepan-1-yl)but-2-enedioate CAS Name: (E)-2-(2-oxo-1-azepanyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(2-oxoazepan-1-yl)but-2-enedioate Traditional Name: (E)-2-(2-ketoazepan-1-yl)but-2-enedioic acid dimethyl ester Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1CCCCCC1=O

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1CCCCCC1=O

InChI

InChI=1S/C12H17NO5/c1-17-11(15)8-9(12(16)18-2)13-7-5-3-4-6-10(13)14/h8H,3-7H2,1-2H3/b9-8+