(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O4/c1-12-17(13(2)22(21-12)14-6-4-3-5-7-14)11-27-19(24)16-9-8-15(23(25)26)10-18(16)20/h3-10H,11H2,1-2H3