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

Systemtic Name: 2-[(3,5-dinitrophenyl)amino]ethanoic acid Openeye Name: 2-(3,5-dinitroanilino)acetic acid CAS Name: 2-(3,5-dinitroanilino)acetic acid IUPAC Name: 2-(3,5-dinitroanilino)acetic acid Traditional Name: 2-(3,5-dinitroanilino)acetic acid Formula: C8H7N3O6 MolecularWeight: 241.15768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O6/c12-8(13)4-9-5-1-6(10(14)15)3-7(2-5)11(16)17/h1-3,9H,4H2,(H,12,13)