(2S)-2-[(4-nitrophenyl)carbonylamino]pentanedioic acid hydrate

Systemtic Name: (2S)-2-[(4-nitrophenyl)carbonylamino]pentanedioic acid hydrate Openeye Name: (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid hydrate CAS Name: (2S)-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanedioic acid hydrate IUPAC Name: (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid hydrate Traditional Name: (2S)-2-[(4-nitrobenzoyl)amino]glutaric acid hydrate Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N+](=O)[O-].O

InChI

InChI=1S/C12H12N2O7.H2O/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21;/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19);1H2/t9-;/m0./s1