[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H19N3O4/c1-13-5-4-6-18(23(25)26)19(13)20(24)27-12-16-7-9-17(10-8-16)22-15(3)11-14(2)21-22/h4-11H,12H2,1-3H3