(2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 2,4-dinitrobenzoate

Systemtic Name: (2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 2,4-dinitrobenzoate Openeye Name: (2-methoxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (2-methoxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-methoxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (5-keto-2-methoxy-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8/c1-10-7-15(27-4)16(18(2,3)9-14(10)21)28-17(22)12-6-5-11(19(23)24)8-13(12)20(25)26/h5-8,15-16H,9H2,1-4H3