methyl 1-[1,3-benzodioxol-5-yl(benzotriazol-1-yl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[1,3-benzodioxol-5-yl(benzotriazol-1-yl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[1,3-benzodioxol-5-yl(benzotriazol-1-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(1-benzotriazolyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1,3-benzodioxol-5-yl(benzotriazol-1-yl)methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-[1,3-benzodioxol-5-yl(benzotriazol-1-yl)methyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H18N4O5/c1-27-20(26)15-7-9-18(25)23(15)19(12-6-8-16-17(10-12)29-11-28-16)24-14-5-3-2-4-13(14)21-22-24/h2-6,8,10,15,19H,7,9,11H2,1H3