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

Systemtic Name: methyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methoxy]-3-nitro-benzoate CAS Name: 4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methoxy]-3-nitrobenzoate Traditional Name: 4-[4-(3,5-dimethylpyrazol-1-yl)benzyl]oxy-3-nitro-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O5/c1-13-10-14(2)22(21-13)17-7-4-15(5-8-17)12-28-19-9-6-16(20(24)27-3)11-18(19)23(25)26/h4-11H,12H2,1-3H3