2-nitro-3-(3-pyrazol-1-ylpropyl)benzamide

Systemtic Name: 2-nitro-3-(3-pyrazol-1-ylpropyl)benzamide Openeye Name: 2-nitro-3-(3-pyrazol-1-ylpropyl)benzamide CAS Name: 2-nitro-3-[3-(1-pyrazolyl)propyl]benzamide IUPAC Name: 2-nitro-3-(3-pyrazol-1-ylpropyl)benzamide Traditional Name: 2-nitro-3-(3-pyrazol-1-ylpropyl)benzamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCN2C=CC=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)CCCN2C=CC=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H14N4O3/c14-13(18)11-6-1-4-10(12(11)17(19)20)5-2-8-16-9-3-7-15-16/h1,3-4,6-7,9H,2,5,8H2,(H2,14,18)