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

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

C[C@H](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)22-11-16-7-17(12-22)9-18(8-16)13-22)28-20(24)6-5-15-3-2-4-19(10-15)23(26)27/h2-6,10,14,16-18H,7-9,11-13H2,1H3/b6-5+/t14-,16?,17?,18?,22?/m1/s1