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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3O5/c1-23-13-6-2-5-12(15(13)21)16(22)24-11-14(20)19(9-3-7-17)10-4-8-18/h2,5-6,21H,3-4,9-11H2,1H3