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

Systemtic Name: 4-azanyl-2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-hydroxy-3-methoxy-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-hydroxy-3-methoxybenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(vanilloylamino)butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-20-9-4-6(2-3-8(9)15)11(17)14-7(12(18)19)5-10(13)16/h2-4,7,15H,5H2,1H3,(H2,13,16)(H,14,17)(H,18,19)