N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(1-adamantylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N2O5/c23-19(15-6-17-18(27-2-1-26-17)7-16(15)22(24)25)21-11-20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,12-14H,1-5,8-11H2,(H,21,23)