3-cyano-2-[(4-nitrophenyl)methoxycarbonylamino]pentanedioic acid

Systemtic Name: 3-cyano-2-[(4-nitrophenyl)methoxycarbonylamino]pentanedioic acid Openeye Name: 3-cyano-2-[(4-nitrophenyl)methoxycarbonylamino]pentanedioic acid CAS Name: 3-cyano-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]pentanedioic acid IUPAC Name: 3-cyano-2-[(4-nitrophenyl)methoxycarbonylamino]pentanedioic acid Traditional Name: 3-cyano-2-[(4-nitrobenzyl)oxycarbonylamino]glutaric acid Formula: C14H13N3O8 MolecularWeight: 351.26832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NC(C(CC(=O)O)C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NC(C(CC(=O)O)C#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O8/c15-6-9(5-11(18)19)12(13(20)21)16-14(22)25-7-8-1-3-10(4-2-8)17(23)24/h1-4,9,12H,5,7H2,(H,16,22)(H,18,19)(H,20,21)