[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25NO5/c1-14(21(25)22-11-15-8-16(12-22)10-17(9-15)13-22)28-20(24)7-6-18-4-2-3-5-19(18)23(26)27/h2-7,14-17H,8-13H2,1H3/b7-6+