3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propionamide Formula: C20H18BrN5O6 MolecularWeight: 504.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C20H18BrN5O6/c1-12-5-13(2)7-16(6-12)32-17-9-14(8-15(10-17)25(28)29)22-19(27)3-4-24-11-18(21)20(23-24)26(30)31/h5-11H,3-4H2,1-2H3,(H,22,27)