N-[(E)-furan-3-ylmethylideneamino]-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[(E)-furan-3-ylmethylideneamino]-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-[(E)-3-furylmethyleneamino]-5-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-3-furanylmethylideneamino]-5-nitro-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-[(E)-furan-3-ylmethylideneamino]-5-nitropyrazole-3-carboxamide Traditional Name: 2-benzyl-N-[(E)-3-furfurylideneamino]-5-nitro-pyrazole-3-carboxamide Formula: C16H13N5O4 MolecularWeight: 339.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)NN=CC3=COC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)N/N=C/C3=COC=C3

InChI

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