2,2-diphenylethyl 3,5-dinitrobenzoate

Systemtic Name: 2,2-diphenylethyl 3,5-dinitrobenzoate Openeye Name: 2,2-diphenylethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2,2-diphenylethyl ester IUPAC Name: 2,2-diphenylethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2,2-diphenylethyl ester Formula: C21H16N2O6 MolecularWeight: 392.36154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6/c24-21(17-11-18(22(25)26)13-19(12-17)23(27)28)29-14-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2