4-bromanyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2-fluorobenzyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H10BrFN6O3 MolecularWeight: 409.170003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C14H10BrFN6O3/c15-11-12(19-20-13(11)22(24)25)14(23)18-9-5-17-21(7-9)6-8-3-1-2-4-10(8)16/h1-5,7H,6H2,(H,18,23)(H,19,20)