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

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]propionamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O4/c1-13-4-3-5-17(8-13)29-18-10-15(9-16(11-18)25(27)28)23-20(26)6-7-24-14(2)19(21)12-22-24/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)