[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C17H20BrN3O3/c1-11(15(22)21-17(10-19)7-3-2-4-8-17)24-16(23)13-9-12(18)5-6-14(13)20/h5-6,9,11H,2-4,7-8,20H2,1H3,(H,21,22)