(4-oxidanylidene-2-phenyl-chromen-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl) 3,5-dinitrobenzoate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2-phenylchromen-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-keto-2-phenyl-chromen-3-yl) ester Formula: C22H12N2O8 MolecularWeight: 432.33928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O8/c25-19-17-8-4-5-9-18(17)31-20(13-6-2-1-3-7-13)21(19)32-22(26)14-10-15(23(27)28)12-16(11-14)24(29)30/h1-12H