3-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-3-methyl-1-pyrazolyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propionamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O4/c1-13-4-5-14(2)20(8-13)30-18-10-16(9-17(11-18)26(28)29)23-21(27)6-7-25-12-19(22)15(3)24-25/h4-5,8-12H,6-7H2,1-3H3,(H,23,27)