2-[(5-chloranyl-2,4-dinitro-phenyl)amino]propanoic acid

Systemtic Name: 2-[(5-chloranyl-2,4-dinitro-phenyl)amino]propanoic acid Openeye Name: 2-(5-chloro-2,4-dinitro-anilino)propanoic acid CAS Name: 2-(5-chloro-2,4-dinitroanilino)propanoic acid IUPAC Name: 2-(5-chloro-2,4-dinitroanilino)propanoic acid Traditional Name: 2-(5-chloro-2,4-dinitro-anilino)propionic acid Formula: C9H8ClN3O6 MolecularWeight: 289.62932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)O)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C9H8ClN3O6/c1-4(9(14)15)11-6-2-5(10)7(12(16)17)3-8(6)13(18)19/h2-4,11H,1H3,(H,14,15)