(6-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-nitrobenzoate

Systemtic Name: (6-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-nitrobenzoate Openeye Name: (6-methyl-4-oxo-2-phenyl-chromen-3-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-methyl-4-oxo-2-phenylchromen-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-keto-6-methyl-2-phenyl-chromen-3-yl) ester Formula: C23H15NO6 MolecularWeight: 401.3683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H15NO6/c1-14-10-11-19-18(12-14)20(25)22(21(29-19)15-6-3-2-4-7-15)30-23(26)16-8-5-9-17(13-16)24(27)28/h2-13H,1H3