4-[[4-[(2-methylphenyl)carbonylamino]-3-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2-methylphenyl)carbonylamino]-3-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-hydroxy-4-[(2-methylbenzoyl)amino]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-hydroxy-4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-hydroxy-4-[(2-methylbenzoyl)amino]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-hydroxy-4-(o-toluoylamino)anilino]-4-keto-butyric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C18H18N2O5/c1-11-4-2-3-5-13(11)18(25)20-14-7-6-12(10-15(14)21)19-16(22)8-9-17(23)24/h2-7,10,21H,8-9H2,1H3,(H,19,22)(H,20,25)(H,23,24)