2-[carboxymethyl-(3,5-dinitrophenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(3,5-dinitrophenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(3,5-dinitrobenzoyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[(3,5-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-(3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(3,5-dinitrobenzoyl)amino]acetic acid Formula: C11H9N3O9 MolecularWeight: 327.20386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O9/c15-9(16)4-12(5-10(17)18)11(19)6-1-7(13(20)21)3-8(2-6)14(22)23/h1-3H,4-5H2,(H,15,16)(H,17,18)