(4-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) 3,5-dinitrobenzoate

Systemtic Name: (4-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) 3,5-dinitrobenzoate Openeye Name: (4-methoxy-4,7,7-trimethyl-norcaran-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) ester IUPAC Name: (4-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-methoxy-4,7,7-trimethyl-norcaran-3-yl) ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1CC(C(C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)OC)C

Isomeric SMILES

CC1(C2C1CC(C(C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)OC)C

InChI

InChI=1S/C18H22N2O7/c1-17(2)13-8-15(18(3,26-4)9-14(13)17)27-16(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h5-7,13-15H,8-9H2,1-4H3