3-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]propanoic acid

Systemtic Name: 3-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]propanoic acid Openeye Name: 3-(4,5-dichloro-2-nitro-anilino)propanoic acid CAS Name: 3-(4,5-dichloro-2-nitroanilino)propanoic acid IUPAC Name: 3-(4,5-dichloro-2-nitroanilino)propanoic acid Traditional Name: 3-(4,5-dichloro-2-nitro-anilino)propionic acid Formula: C9H8Cl2N2O4 MolecularWeight: 279.07682

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C9H8Cl2N2O4/c10-5-3-7(12-2-1-9(14)15)8(13(16)17)4-6(5)11/h3-4,12H,1-2H2,(H,14,15)