[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-oxidanyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-bromo-4-hydroxy-benzoate CAS Name: 3-bromo-4-hydroxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-bromo-4-hydroxybenzoate Traditional Name: 3-bromo-4-hydroxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=C(C=C2)O)Br

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=C(C=C2)O)Br

InChI

InChI=1S/C16H17BrN2O4/c17-12-8-11(4-5-13(12)20)15(22)23-9-14(21)19-16(10-18)6-2-1-3-7-16/h4-5,8,20H,1-3,6-7,9H2,(H,19,21)