2-[(3,5-dinitrophenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)amino]acetic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]acetic acid Formula: C9H7N3O7 MolecularWeight: 269.16778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O7/c13-8(14)4-10-9(15)5-1-6(11(16)17)3-7(2-5)12(18)19/h1-3H,4H2,(H,10,15)(H,13,14)