[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C=O)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H15N3O4/c17-7-1-9-19(10-2-8-18)15(21)12-23-16(22)14-5-3-13(11-20)4-6-14/h3-6,11H,1-2,9-10,12H2