3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C15H17BrN4O4 MolecularWeight: 397.22388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)Br

InChI

InChI=1S/C15H17BrN4O4/c1-9-15(16)10(2)19(18-9)7-6-14(21)17-12-5-4-11(24-3)8-13(12)20(22)23/h4-5,8H,6-7H2,1-3H3,(H,17,21)