(2S)-2-[(3-nitrophenyl)carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(3-nitrophenyl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(3-nitrobenzoyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(3-nitrobenzoyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]glutaric acid Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O7/c15-10(16)5-4-9(12(18)19)13-11(17)7-2-1-3-8(6-7)14(20)21/h1-3,6,9H,4-5H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1