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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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