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

Systemtic Name: methyl 2-[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-bromanyl-6-nitro-phenoxy]ethanoate Openeye Name: methyl 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]acetate CAS Name: 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetate Traditional Name: 2-[4-bromo-2-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]acetic acid methyl ester Formula: C18H13BrN4O7 MolecularWeight: 477.22242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O7/c1-29-15(24)9-30-16-10(6-11(19)7-14(16)23(27)28)8-20-22-17(25)12-4-2-3-5-13(12)21-18(22)26/h2-8H,9H2,1H3,(H,21,26)