tetraethyl 4-(benzotriazol-1-yl)butane-1,1,3,3-tetracarboxylate

Systemtic Name: tetraethyl 4-(benzotriazol-1-yl)butane-1,1,3,3-tetracarboxylate Openeye Name: tetraethyl 4-(benzotriazol-1-yl)butane-1,1,3,3-tetracarboxylate CAS Name: 4-(1-benzotriazolyl)butane-1,1,3,3-tetracarboxylic acid tetraethyl ester IUPAC Name: tetraethyl 4-(benzotriazol-1-yl)butane-1,1,3,3-tetracarboxylate Traditional Name: 4-(benzotriazol-1-yl)butane-1,1,3,3-tetracarboxylic acid tetraethyl ester Formula: C22H29N3O8 MolecularWeight: 463.48096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CN1C2=CC=CC=C2N=N1)(C(=O)OCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(CN1C2=CC=CC=C2N=N1)(C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H29N3O8/c1-5-30-18(26)15(19(27)31-6-2)13-22(20(28)32-7-3,21(29)33-8-4)14-25-17-12-10-9-11-16(17)23-24-25/h9-12,15H,5-8,13-14H2,1-4H3