2,2,2-triphenylethanoyl 3,5-dinitrobenzoate

Systemtic Name: 2,2,2-triphenylethanoyl 3,5-dinitrobenzoate Openeye Name: (2,2,2-triphenylacetyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1-oxo-2,2,2-triphenylethyl) ester IUPAC Name: (2,2,2-triphenylacetyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2,2-triphenylacetyl) ester Formula: C27H18N2O7 MolecularWeight: 482.44102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O7/c30-25(19-16-23(28(32)33)18-24(17-19)29(34)35)36-26(31)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H