3-[(4-methylphenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[(4-methylphenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-(4-methyl-N-(3-oxido-3-oxo-propyl)anilino)propanoate CAS Name: 3-(4-methyl-N-(3-oxido-3-oxopropyl)anilino)propanoate IUPAC Name: 3-(4-methyl-N-(3-oxido-3-oxopropyl)anilino)propanoate Traditional Name: 3-(N-(3-keto-3-oxido-propyl)-4-methyl-anilino)propionate Formula: C13H15NO4-2 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-10-2-4-11(5-3-10)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)/p-2