2-[(4-methylphenyl)carbonylamino]butanedioic acid

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]butanedioic acid Openeye Name: 2-[(4-methylbenzoyl)amino]butanedioic acid CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[(4-methylbenzoyl)amino]butanedioic acid Traditional Name: 2-(p-toluoylamino)succinic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c1-7-2-4-8(5-3-7)11(16)13-9(12(17)18)6-10(14)15/h2-5,9H,6H2,1H3,(H,13,16)(H,14,15)(H,17,18)