[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-12-4-5-14(20)13(10-12)16(22)23-11-15(21)19(8-2-6-17)9-3-7-18/h4-5,10,20H,2-3,8-9,11H2,1H3