dimethyl (E)-2-(benzotriazol-1-yl)-3-(morpholin-4-ylmethyl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(morpholin-4-ylmethyl)but-2-enedioate Openeye Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(morpholinomethyl)but-2-enedioate CAS Name: (E)-2-(1-benzotriazolyl)-3-(4-morpholinylmethyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(benzotriazol-1-yl)-3-(morpholin-4-ylmethyl)but-2-enedioate Traditional Name: (E)-2-(benzotriazol-1-yl)-3-(morpholinomethyl)but-2-enedioic acid dimethyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)N1C2=CC=CC=C2N=N1)CN3CCOCC3

Isomeric SMILES

COC(=O)/C(=C(\C(=O)OC)/N1C2=CC=CC=C2N=N1)/CN3CCOCC3

InChI

InChI=1S/C17H20N4O5/c1-24-16(22)12(11-20-7-9-26-10-8-20)15(17(23)25-2)21-14-6-4-3-5-13(14)18-19-21/h3-6H,7-11H2,1-2H3/b15-12+