N-(2-cyanophenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(2-cyanophenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(2-cyanophenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(2-cyanophenyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(2-cyanophenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(2-cyanophenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3/c1-2-13(18-9-11(8-16-18)19(21)22)14(20)17-12-6-4-3-5-10(12)7-15/h3-6,8-9,13H,2H2,1H3,(H,17,20)