[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N3O4/c22-11-5-13-24(14-6-12-23)20(25)16-27-21(26)17-7-4-10-19(15-17)28-18-8-2-1-3-9-18/h1-4,7-10,15H,5-6,13-14,16H2