2-[(3-bromanyl-2,4,6-trimethyl-phenyl)amino]-2-(carboxymethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(3-bromanyl-2,4,6-trimethyl-phenyl)amino]-2-(carboxymethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(3-bromo-2,4,6-trimethyl-anilino)-2-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: 2-(3-bromo-2,4,6-trimethylanilino)-2-(carboxymethylamino)-4-oxobutanoic acid IUPAC Name: 2-(3-bromo-2,4,6-trimethylanilino)-2-(carboxymethylamino)-4-oxobutanoic acid Traditional Name: 2-(3-bromo-2,4,6-trimethyl-anilino)-2-(carboxymethylamino)-4-keto-butyric acid Formula: C15H19BrN2O5 MolecularWeight: 387.22576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC(CC=O)(C(=O)O)NCC(=O)O)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1NC(CC=O)(C(=O)O)NCC(=O)O)C)Br)C

InChI

InChI=1S/C15H19BrN2O5/c1-8-6-9(2)13(10(3)12(8)16)18-15(4-5-19,14(22)23)17-7-11(20)21/h5-6,17-18H,4,7H2,1-3H3,(H,20,21)(H,22,23)