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

Systemtic Name: (2S)-2-[(2-carboxyphenyl)carbonylamino]butanedioic acid Openeye Name: (2S)-2-[(2-carboxybenzoyl)amino]butanedioic acid CAS Name: (2S)-2-[[(2-carboxyphenyl)-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[(2-carboxybenzoyl)amino]butanedioic acid Traditional Name: (2S)-2-[(2-carboxybenzoyl)amino]succinic acid Formula: C12H11NO7 MolecularWeight: 281.21824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO7/c14-9(15)5-8(12(19)20)13-10(16)6-3-1-2-4-7(6)11(17)18/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t8-/m0/s1