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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-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=C1C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

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