3-[(4-chloranyl-3-nitro-pyrazol-1-yl)methoxy]benzoic acid

Systemtic Name: 3-[(4-chloranyl-3-nitro-pyrazol-1-yl)methoxy]benzoic acid Openeye Name: 3-[(4-chloro-3-nitro-pyrazol-1-yl)methoxy]benzoic acid CAS Name: 3-[(4-chloro-3-nitro-1-pyrazolyl)methoxy]benzoic acid IUPAC Name: 3-[(4-chloro-3-nitropyrazol-1-yl)methoxy]benzoic acid Traditional Name: 3-[(4-chloro-3-nitro-pyrazol-1-yl)methoxy]benzoic acid Formula: C11H8ClN3O5 MolecularWeight: 297.65132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCN2C=C(C(=N2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCN2C=C(C(=N2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C11H8ClN3O5/c12-9-5-14(13-10(9)15(18)19)6-20-8-3-1-2-7(4-8)11(16)17/h1-5H,6H2,(H,16,17)