2-[3-chloranyl-4-(4-nitropyrazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-(4-nitropyrazol-1-yl)phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-(4-nitropyrazol-1-yl)phenyl]propanoic acid CAS Name: 2-[3-chloro-4-(4-nitro-1-pyrazolyl)phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-(4-nitropyrazol-1-yl)phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-(4-nitropyrazol-1-yl)phenyl]propionic acid Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2C=C(C=N2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2C=C(C=N2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C12H10ClN3O4/c1-7(12(17)18)8-2-3-11(10(13)4-8)15-6-9(5-14-15)16(19)20/h2-7H,1H3,(H,17,18)