4-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-bromo-4-methoxy-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-bromo-4-methoxybenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(3-bromo-4-methoxy-benzoyl)amino]-4-keto-butyric acid Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C12H13BrN2O5/c1-20-9-3-2-6(4-7(9)13)11(17)15-8(12(18)19)5-10(14)16/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)