[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H19N5O3/c1-24(12-4-11-21)19(26)14-28-20(27)16-9-7-15(8-10-16)13-25-18-6-3-2-5-17(18)22-23-25/h2-3,5-10H,4,12-14H2,1H3