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

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3,4-dimethoxyphenyl)butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)butyramide Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O5/c1-10-15(17)16(21(23)24)19-20(10)8-4-5-14(22)18-11-6-7-12(25-2)13(9-11)26-3/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)