(E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-adamantyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)/C=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H22N2O5/c23-19(21-20-14-4-11-3-12(6-14)7-15(20)5-11)2-1-13-8-17-18(27-10-26-17)9-16(13)22(24)25/h1-2,8-9,11-12,14-15,20H,3-7,10H2,(H,21,23)/b2-1+