(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate

Systemtic Name: (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate Openeye Name: (3,3-dimethylnorbornan-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl ester IUPAC Name: (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,3-dimethylnorbornan-2-yl)methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2)C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2CCC(C2)C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21NO4/c1-17(2)13-6-3-12(9-13)15(17)10-22-16(19)11-4-7-14(8-5-11)18(20)21/h4-5,7-8,12-13,15H,3,6,9-10H2,1-2H3