[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H17Cl2N3O3 MolecularWeight: 370.23048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O3/c17-10-6-11(14(20)12(18)7-10)15(23)24-8-13(22)21-16(9-19)4-2-1-3-5-16/h6-7H,1-5,8,20H2,(H,21,22)