methyl 2-[(2-azanyl-4-bromanyl-phenyl)carbonyl-tert-butyl-amino]ethanoate

Systemtic Name: methyl 2-[(2-azanyl-4-bromanyl-phenyl)carbonyl-tert-butyl-amino]ethanoate Openeye Name: methyl 2-[(2-amino-4-bromo-benzoyl)-tert-butyl-amino]acetate CAS Name: 2-[[(2-amino-4-bromophenyl)-oxomethyl]-tert-butylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-4-bromobenzoyl)-tert-butylamino]acetate Traditional Name: 2-[(2-amino-4-bromo-benzoyl)-tert-butyl-amino]acetic acid methyl ester Formula: C14H19BrN2O3 MolecularWeight: 343.21626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)OC)C(=O)C1=C(C=C(C=C1)Br)N

Isomeric SMILES

CC(C)(C)N(CC(=O)OC)C(=O)C1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C14H19BrN2O3/c1-14(2,3)17(8-12(18)20-4)13(19)10-6-5-9(15)7-11(10)16/h5-7H,8,16H2,1-4H3