4-chloranyl-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(4-nitrophenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid Formula: C11H8ClN3O5 MolecularWeight: 297.65132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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