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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)[N+](=O)[O-]

InChI

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