(2S)-2-[(2-acetyloxyphenyl)carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[(2-acetyloxyphenyl)carbonylamino]butanedioic acid Openeye Name: (2S)-2-[(2-acetoxybenzoyl)amino]butanedioic acid CAS Name: (2S)-2-[[(2-acetyloxyphenyl)-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[(2-acetyloxybenzoyl)amino]butanedioic acid Traditional Name: (2S)-2-[(2-acetoxybenzoyl)amino]succinic acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO7/c1-7(15)21-10-5-3-2-4-8(10)12(18)14-9(13(19)20)6-11(16)17/h2-5,9H,6H2,1H3,(H,14,18)(H,16,17)(H,19,20)/t9-/m0/s1