[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3O4/c1-12-5-2-6-13(15(12)21)16(22)23-11-14(20)19(9-3-7-17)10-4-8-18/h2,5-6,21H,3-4,9-11H2,1H3