3-[(2,4-dinitrophenyl)amino]propanoate

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]propanoate Openeye Name: 3-(2,4-dinitroanilino)propanoate CAS Name: 3-(2,4-dinitroanilino)propanoate IUPAC Name: 3-(2,4-dinitroanilino)propanoate Traditional Name: 3-(2,4-dinitroanilino)propionate Formula: C9H8N3O6- MolecularWeight: 254.17632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O6/c13-9(14)3-4-10-7-2-1-6(11(15)16)5-8(7)12(17)18/h1-2,5,10H,3-4H2,(H,13,14)/p-1