[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3O3/c1-13-4-6-14(7-5-13)16(21)22-12-15(20)19(10-2-8-17)11-3-9-18/h4-7H,2-3,10-12H2,1H3