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

Systemtic Name: N-[(E)-[1-hexyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: N-[(E)-[1-hexyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(E)-[1-hexyl-3-(5-nitro-2-furanyl)-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: N-[(E)-[1-hexyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]acetamide Traditional Name: N-[(E)-[1-hexyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4/c1-3-4-5-6-9-20-11-13(10-17-18-12(2)22)16(19-20)14-7-8-15(25-14)21(23)24/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,22)/b17-10+