diethyl 2-(benzotriazol-1-ylmethyl)-2-(4-nitrophenyl)propanedioate

Systemtic Name: diethyl 2-(benzotriazol-1-ylmethyl)-2-(4-nitrophenyl)propanedioate Openeye Name: diethyl 2-(benzotriazol-1-ylmethyl)-2-(4-nitrophenyl)propanedioate CAS Name: 2-(1-benzotriazolylmethyl)-2-(4-nitrophenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzotriazol-1-ylmethyl)-2-(4-nitrophenyl)propanedioate Traditional Name: 2-(benzotriazol-1-ylmethyl)-2-(4-nitrophenyl)malonic acid diethyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C2=CC=CC=C2N=N1)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CN1C2=CC=CC=C2N=N1)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H20N4O6/c1-3-29-18(25)20(19(26)30-4-2,14-9-11-15(12-10-14)24(27)28)13-23-17-8-6-5-7-16(17)21-22-23/h5-12H,3-4,13H2,1-2H3