3-(2-acetamidoethanoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2-acetamidoethanoylamino)-4-methyl-benzoic acid Openeye Name: 3-[(2-acetamidoacetyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(2-acetamido-1-oxoethyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-acetamidoacetyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-acetamidoacetyl)amino]-4-methyl-benzoic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-7-3-4-9(12(17)18)5-10(7)14-11(16)6-13-8(2)15/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)