2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-cyano-4,5-diethoxy-phenyl)propanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-cyano-4,5-diethoxy-phenyl)propanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-cyano-4,5-diethoxy-phenyl)propanamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(2-cyano-4,5-diethoxyphenyl)propanamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)propanamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-cyano-4,5-diethoxy-phenyl)propionamide Formula: C18H20BrN5O5 MolecularWeight: 466.2859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C(C)N2C(=C(C(=N2)[N+](=O)[O-])Br)C)OCC

InChI

InChI=1S/C18H20BrN5O5/c1-5-28-14-7-12(9-20)13(8-15(14)29-6-2)21-18(25)11(4)23-10(3)16(19)17(22-23)24(26)27/h7-8,11H,5-6H2,1-4H3,(H,21,25)