(3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate

Systemtic Name: (3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate Openeye Name: (3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-phenyl-1-cyclohept-3-enyl) ester IUPAC Name: (3-phenylcyclohept-3-en-1-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-phenylcyclohept-3-en-1-yl) ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(CC(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC=C(CC(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6/c23-20(16-10-17(21(24)25)13-18(11-16)22(26)27)28-19-9-5-4-8-15(12-19)14-6-2-1-3-7-14/h1-3,6-8,10-11,13,19H,4-5,9,12H2