(6,7-dimethyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (6,7-dimethyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (6,7-dimethyl-4-oxo-2-phenyl-chromen-3-yl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (6,7-dimethyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6,7-dimethyl-4-oxo-2-phenylchromen-3-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-keto-6,7-dimethyl-2-phenyl-chromen-3-yl) ester Formula: C28H24N2O7 MolecularWeight: 500.49936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

InChI

InChI=1S/C28H24N2O7/c1-17-14-21-24(15-18(17)2)36-26(19-6-4-3-5-7-19)27(25(21)31)37-28(32)20-8-9-22(23(16-20)30(33)34)29-10-12-35-13-11-29/h3-9,14-16H,10-13H2,1-2H3