[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H20N4O3/c22-12-6-14-25(15-7-13-23)20(26)16-28-21(27)18-10-4-5-11-19(18)24-17-8-2-1-3-9-17/h1-5,8-11,24H,6-7,14-16H2