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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3/c15-8-11-3-5-12(6-4-11)17-14(20)2-1-7-18-10-13(9-16-18)19(21)22/h3-6,9-10H,1-2,7H2,(H,17,20)