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

Systemtic Name: 2-[carboxymethyl-[4-(hydroxymethyl)-3-nitro-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[4-(hydroxymethyl)-3-nitro-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[4-(hydroxymethyl)-3-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[4-(hydroxymethyl)-3-nitrobenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-(4-methylol-3-nitro-benzoyl)amino]acetic acid Formula: C12H12N2O8 MolecularWeight: 312.23228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-])CO

InChI

InChI=1S/C12H12N2O8/c15-6-8-2-1-7(3-9(8)14(21)22)12(20)13(4-10(16)17)5-11(18)19/h1-3,15H,4-6H2,(H,16,17)(H,18,19)