N-(1-adamantyl)-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1-adamantyl)-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-(1-adamantyl)-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1-adamantyl)-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1-adamantyl)-6-nitro-piperonylamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c21-17(13-4-15-16(25-9-24-15)5-14(13)20(22)23)19-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12H,1-3,6-9H2,(H,19,21)