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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-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=CC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c1-13-5-2-6-14(11-13)16(21)22-12-15(20)19(9-3-7-17)10-4-8-18/h2,5-6,11H,3-4,9-10,12H2,1H3