2-(4-bromanylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-nitro-5-(3-pyridinyloxy)phenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]butyramide Formula: C18H16BrN5O4 MolecularWeight: 446.25474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O4/c1-2-17(23-11-12(19)9-21-23)18(25)22-13-6-14(24(26)27)8-16(7-13)28-15-4-3-5-20-10-15/h3-11,17H,2H2,1H3,(H,22,25)