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

Systemtic Name: N-[(E)-furan-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-2-furylmethyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-2-furanylmethylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-[(E)-2-furfurylideneamino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O4/c22-16(18-17-10-14-2-1-9-25-14)15-7-8-20(19-15)11-12-3-5-13(6-4-12)21(23)24/h1-10H,11H2,(H,18,22)/b17-10+