N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]adamantane-1-carboxamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C19H21N3O5/c23-18(19-6-11-1-12(7-19)3-13(2-11)8-19)21-20-9-14-4-16-17(27-10-26-16)5-15(14)22(24)25/h4-5,9,11-13H,1-3,6-8,10H2,(H,21,23)/b20-9+