4-bromanyl-N-[(3,4-diethoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[(3,4-diethoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[(3,4-diethoxyphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(3,4-diethoxybenzyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H17BrN4O5 MolecularWeight: 413.22328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C15H17BrN4O5/c1-3-24-10-6-5-9(7-11(10)25-4-2)8-17-15(21)13-12(16)14(19-18-13)20(22)23/h5-7H,3-4,8H2,1-2H3,(H,17,21)(H,18,19)