(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C(=CC=C3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C(=CC=C3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O7/c1-4-29-16-8-13(14(23(26)27)9-15(16)28-3)20(25)30-10-17-21-18-11(2)6-5-7-12(18)19(24)22-17/h5-9H,4,10H2,1-3H3,(H,21,22,24)