N-[4-(cyanomethyl)phenyl]-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c14-7-5-10-1-3-11(4-2-10)15-13(19)9-17-8-6-12(16-17)18(20)21/h1-4,6,8H,5,9H2,(H,15,19)