[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C16H16N2O4/c17-11-16(7-1-2-8-16)18-14(20)10-22-15(21)13-5-3-12(9-19)4-6-13/h3-6,9H,1-2,7-8,10H2,(H,18,20)