N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-(5-nitro-2-thienyl)methyleneamino]adamantane-1-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N/N=C/C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c20-15(18-17-9-13-1-2-14(23-13)19(21)22)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,18,20)/b17-9+