4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C19H21BrN6O4 MolecularWeight: 477.31184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C19H21BrN6O4/c1-12-16(20)18(26(29)30)22-24(12)11-7-10-15(27)21-17-13(2)23(3)25(19(17)28)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,21,27)