4-[(5-bromanyl-2-methyl-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-methyl-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-bromo-2-methyl-phenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[[(5-bromo-2-methylanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-bromo-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-bromo-2-methyl-phenyl)carbamoylamino]-4-keto-butyric acid Formula: C12H13BrN2O4 MolecularWeight: 329.14662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)NC(=O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)NC(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H13BrN2O4/c1-7-2-3-8(13)6-9(7)14-12(19)15-10(16)4-5-11(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)(H2,14,15,16,19)