N-[4-(cyanomethyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(4-nitropyrazol-1-yl)butyramide Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3/c16-8-7-12-3-5-13(6-4-12)18-15(21)2-1-9-19-11-14(10-17-19)20(22)23/h3-6,10-11H,1-2,7,9H2,(H,18,21)