(3,3-dimethyl-2-phenyl-oxiran-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (3,3-dimethyl-2-phenyl-oxiran-2-yl)methyl 4-nitrobenzoate Openeye Name: (3,3-dimethyl-2-phenyl-oxiran-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,3-dimethyl-2-phenyl-2-oxiranyl)methyl ester IUPAC Name: (3,3-dimethyl-2-phenyloxiran-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,3-dimethyl-2-phenyl-oxiran-2-yl)methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(O1)(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H17NO5/c1-17(2)18(24-17,14-6-4-3-5-7-14)12-23-16(20)13-8-10-15(11-9-13)19(21)22/h3-11H,12H2,1-2H3