4-(4-chloranyl-3-methyl-phenoxy)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-(3,5-dimethyl-1-pyrazolyl)-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H14ClN5O3/c1-9-6-12(4-5-13(9)17)25-16-14(22(23)24)15(18-8-19-16)21-11(3)7-10(2)20-21/h4-8H,1-3H3