(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-nitrobenzoate

Systemtic Name: (5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-nitrobenzoate Openeye Name: (5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4/c1-21-17(19)15(16(20-21)12-5-3-2-4-6-12)11-26-18(23)13-7-9-14(10-8-13)22(24)25/h2-10H,11H2,1H3