2-chloranyl-3-(4-methyl-3,5-dinitro-phenyl)propanoic acid

Systemtic Name: 2-chloranyl-3-(4-methyl-3,5-dinitro-phenyl)propanoic acid Openeye Name: 2-chloro-3-(4-methyl-3,5-dinitro-phenyl)propanoic acid CAS Name: 2-chloro-3-(4-methyl-3,5-dinitrophenyl)propanoic acid IUPAC Name: 2-chloro-3-(4-methyl-3,5-dinitrophenyl)propanoic acid Traditional Name: 2-chloro-3-(4-methyl-3,5-dinitro-phenyl)propionic acid Formula: C10H9ClN2O6 MolecularWeight: 288.64126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H9ClN2O6/c1-5-8(12(16)17)3-6(2-7(11)10(14)15)4-9(5)13(18)19/h3-4,7H,2H2,1H3,(H,14,15)