4-bromanyl-N-[(E)-furan-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-furan-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(E)-2-furylmethyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-2-furanylmethylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-furan-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(E)-2-furfurylideneamino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C16H12BrN5O4 MolecularWeight: 418.20158

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=NNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)/C=N/NC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN5O4/c17-14-10-21(9-11-3-5-12(6-4-11)22(24)25)20-15(14)16(23)19-18-8-13-2-1-7-26-13/h1-8,10H,9H2,(H,19,23)/b18-8+