2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate Openeye Name: 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl ester IUPAC Name: 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC1C=C(C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2CC1C=C(C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21NO4/c1-18(2)14-9-12(10-15(18)11-14)7-8-23-17(20)13-3-5-16(6-4-13)19(21)22/h3-6,9,14-15H,7-8,10-11H2,1-2H3