(3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) 4-chloranyl-3-nitro-benzoate Openeye Name: (3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) ester IUPAC Name: (3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl) ester Formula: C20H24ClNO4 MolecularWeight: 377.86186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2(CCCC=C2C1)C)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(C2(CCCC=C2C1)C)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H24ClNO4/c1-19(2)11-14-6-4-5-9-20(14,3)17(12-19)26-18(23)13-7-8-15(21)16(10-13)22(24)25/h6-8,10,17H,4-5,9,11-12H2,1-3H3