[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)N

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C14H19BrN2O3/c1-8(2)9(3)17-13(18)7-20-14(19)11-6-10(15)4-5-12(11)16/h4-6,8-9H,7,16H2,1-3H3,(H,17,18)