1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-13(19-22-16-5-3-2-4-15(16)20(26)23-19)31-21(27)14-6-7-17(18(12-14)25(28)29)24-8-10-30-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,26)