2-[[4-(acetyloxymethyl)-3-nitro-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-(acetyloxymethyl)-3-nitro-phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[4-(acetoxymethyl)-3-nitro-benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[4-(acetyloxymethyl)-3-nitrophenyl]-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[4-(acetyloxymethyl)-3-nitrobenzoyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[4-(acetoxymethyl)-3-nitro-benzoyl]-(carboxymethyl)amino]acetic acid Formula: C14H14N2O9 MolecularWeight: 354.26896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=C(C=C1)C(=O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(C=C(C=C1)C(=O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O9/c1-8(17)25-7-10-3-2-9(4-11(10)16(23)24)14(22)15(5-12(18)19)6-13(20)21/h2-4H,5-7H2,1H3,(H,18,19)(H,20,21)