methyl 2-chloranyl-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Openeye Name: methyl 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazol-1-yl]benzoic acid methyl ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O4/c1-11-18(13-5-4-6-15(9-13)23(25)26)12(2)22(21-11)14-7-8-17(20)16(10-14)19(24)27-3/h4-10H,1-3H3