2-(4-bromanylpyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]butyramide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC(=C2)C)[N+](=O)[O-])N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC(=C2)C)[N+](=O)[O-])N3C=C(C=N3)Br

InChI

InChI=1S/C20H19BrN4O4/c1-3-19(24-12-14(21)11-22-24)20(26)23-15-8-16(25(27)28)10-18(9-15)29-17-6-4-5-13(2)7-17/h4-12,19H,3H2,1-2H3,(H,23,26)