4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3,4,5-trimethoxyphenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butyramide Formula: C17H21BrN4O6 MolecularWeight: 457.27584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C17H21BrN4O6/c1-10-15(18)17(22(24)25)20-21(10)7-5-6-14(23)19-11-8-12(26-2)16(28-4)13(9-11)27-3/h8-9H,5-7H2,1-4H3,(H,19,23)