2-[4-(ethylamino)-3-methyl-phenyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[4-(ethylamino)-3-methyl-phenyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[4-(ethylamino)-3-methyl-phenyl]-2-hydroxy-propanedioic acid CAS Name: 2-[4-(ethylamino)-3-methylphenyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[4-(ethylamino)-3-methylphenyl]-2-hydroxypropanedioic acid Traditional Name: 2-[4-(ethylamino)-3-methyl-phenyl]-2-hydroxy-malonic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(C(=O)O)(C(=O)O)O)C

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(C(=O)O)(C(=O)O)O)C

InChI

InChI=1S/C12H15NO5/c1-3-13-9-5-4-8(6-7(9)2)12(18,10(14)15)11(16)17/h4-6,13,18H,3H2,1-2H3,(H,14,15)(H,16,17)