1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6/c1-11(17-21-16-5-3-2-4-13(16)18(25)22-17)29-19(26)14-10-12(23(27)28)6-7-15(14)20-8-9-24/h2-7,10-11,20,24H,8-9H2,1H3,(H,21,22,25)