[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)NCC2=CC=CO2

InChI

InChI=1S/C20H20N4O4/c21-9-4-11-24(12-5-10-22)19(25)15-28-20(26)17-7-1-2-8-18(17)23-14-16-6-3-13-27-16/h1-3,6-8,13,23H,4-5,11-12,14-15H2