4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-ethylphenyl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-ethylphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-ethylphenyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(2-ethylphenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-ethylphenyl)butyramide Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H19BrN4O3/c1-3-12-7-4-5-8-13(12)18-14(22)9-6-10-20-11(2)15(17)16(19-20)21(23)24/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,18,22)