N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C19H21BrN6O4 MolecularWeight: 477.31184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)C)[N+](=O)[O-]

InChI

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