N-(4-bromanyl-2-methyl-phenyl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C14H15BrN4O3 MolecularWeight: 367.1979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O3/c1-10-7-11(15)4-5-13(10)17-14(20)3-2-6-18-9-12(8-16-18)19(21)22/h4-5,7-9H,2-3,6H2,1H3,(H,17,20)