[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H16ClN3O4/c1-23-14-5-4-12(17)10-13(14)16(22)24-11-15(21)20(8-2-6-18)9-3-7-19/h4-5,10H,2-3,8-9,11H2,1H3