dimethyl (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxybut-2-enedioate

Systemtic Name: dimethyl (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxybut-2-enedioate Openeye Name: dimethyl (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxybut-2-enedioate CAS Name: (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxy-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxybut-2-enedioate Traditional Name: (E)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxybut-2-enedioic acid dimethyl ester Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)ONC1=NCCCCC1

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/ONC1=NCCCCC1

InChI

InChI=1S/C12H18N2O5/c1-17-11(15)8-9(12(16)18-2)19-14-10-6-4-3-5-7-13-10/h8H,3-7H2,1-2H3,(H,13,14)/b9-8+