ethyl N-[(E)-[1-hexyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]carbamate

Systemtic Name: ethyl N-[(E)-[1-hexyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]carbamate Openeye Name: ethyl N-[(E)-[1-hexyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[1-hexyl-3-(5-nitro-2-furanyl)-4-pyrazolyl]methylideneamino]carbamic acid ethyl ester IUPAC Name: ethyl N-[(E)-[1-hexyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[1-hexyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamic acid ethyl ester Formula: C17H23N5O5 MolecularWeight: 377.39502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C=NNC(=O)OCC

Isomeric SMILES

CCCCCCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])/C=N/NC(=O)OCC

InChI

InChI=1S/C17H23N5O5/c1-3-5-6-7-10-21-12-13(11-18-19-17(23)26-4-2)16(20-21)14-8-9-15(27-14)22(24)25/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,23)/b18-11+