[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-nitro-phenyl] ethanoate

Systemtic Name: [4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-nitro-phenyl] ethanoate Openeye Name: [2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenyl] ester IUPAC Name: [2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenyl] ester Formula: C17H11BrN4O6 MolecularWeight: 447.19644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN4O6/c1-9(23)28-15-12(18)6-10(7-14(15)22(26)27)8-19-21-16(24)11-4-2-3-5-13(11)20-17(21)25/h2-8H,1H3,(H,20,25)