[2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7/c24-20(22-8-13-3-14(9-22)5-15(4-13)10-22)11-28-21(25)2-1-16-6-18-19(30-12-29-18)7-17(16)23(26)27/h1-2,6-7,13-15H,3-5,8-12H2/b2-1+