ethyl 2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]-4-methyl-benzoate

Systemtic Name: ethyl 2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]-4-methyl-benzoate Openeye Name: ethyl 2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]-4-methyl-benzoate CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]-4-methylbenzoate Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]-4-methyl-benzoic acid ethyl ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C)C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C)C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O4/c1-3-27-19(24)14-6-4-11(2)8-15(14)18-16(10-21-22-18)13-7-5-12(23(25)26)9-17(13)20/h4-10H,3H2,1-2H3,(H,21,22)