N-(3-methylphenyl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(3-methylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(m-tolyl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(3-methylphenyl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-methylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(m-tolyl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C14H16N4O3 MolecularWeight: 288.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-11-4-2-5-12(8-11)16-14(19)6-3-7-17-10-13(9-15-17)18(20)21/h2,4-5,8-10H,3,6-7H2,1H3,(H,16,19)