3-[(4-bromophenyl)carbonyl-(dimethylamino)amino]-2-methyl-propanoate

Systemtic Name: 3-[(4-bromophenyl)carbonyl-(dimethylamino)amino]-2-methyl-propanoate Openeye Name: 3-[(4-bromobenzoyl)-(dimethylamino)amino]-2-methyl-propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]-(dimethylamino)amino]-2-methylpropanoate IUPAC Name: 3-[(4-bromobenzoyl)-(dimethylamino)amino]-2-methylpropanoate Traditional Name: 3-[(4-bromobenzoyl)-(dimethylamino)amino]-2-methyl-propionate Formula: C13H16BrN2O3- MolecularWeight: 328.18174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(=O)C1=CC=C(C=C1)Br)N(C)C)C(=O)[O-]

Isomeric SMILES

CC(CN(C(=O)C1=CC=C(C=C1)Br)N(C)C)C(=O)[O-]

InChI

InChI=1S/C13H17BrN2O3/c1-9(13(18)19)8-16(15(2)3)12(17)10-4-6-11(14)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,19)/p-1