2-[5-(4-chloranyl-2-nitro-phenyl)-3-methyl-pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chloranyl-2-nitro-phenyl)-3-methyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-chloro-2-nitro-phenyl)-3-methyl-pyrazol-1-yl]acetic acid CAS Name: 2-[5-(4-chloro-2-nitrophenyl)-3-methyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[5-(4-chloro-2-nitrophenyl)-3-methylpyrazol-1-yl]acetic acid Traditional Name: 2-[5-(4-chloro-2-nitro-phenyl)-3-methyl-pyrazol-1-yl]acetic acid Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H10ClN3O4/c1-7-4-10(15(14-7)6-12(17)18)9-3-2-8(13)5-11(9)16(19)20/h2-5H,6H2,1H3,(H,17,18)