(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1,7,7-trimethylnorbornan-2-yl) 8-methoxy-6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-6-nitro-2-oxo-1-benzopyran-3-carboxylic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 8-methoxy-6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-6-nitro-chromene-3-carboxylic acid 2-bornyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2)OC(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C2CCC1(C(C2)OC(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H23NO7/c1-20(2)12-5-6-21(20,3)16(9-12)28-18(23)14-8-11-7-13(22(25)26)10-15(27-4)17(11)29-19(14)24/h7-8,10,12,16H,5-6,9H2,1-4H3