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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]butyramide Formula: C20H19BrN4O5 MolecularWeight: 475.29266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2OC)[N+](=O)[O-])N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2OC)[N+](=O)[O-])N3C=C(C=N3)Br

InChI

InChI=1S/C20H19BrN4O5/c1-3-17(24-12-13(21)11-22-24)20(26)23-14-8-15(25(27)28)10-16(9-14)30-19-7-5-4-6-18(19)29-2/h4-12,17H,3H2,1-2H3,(H,23,26)