2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-3-bromanyl-2-chloranyl-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-3-bromanyl-2-chloranyl-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[3-bromo-2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[3-bromo-2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[3-bromo-2-chloro-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[3-bromo-2-chloro-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-methoxy-phenoxy]acetonitrile Formula: C18H12BrClN4O4 MolecularWeight: 463.66928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)Cl)OCC#N

Isomeric SMILES

COC1=C(C(=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)Br)Cl)OCC#N

InChI

InChI=1S/C18H12BrClN4O4/c1-27-13-8-10(14(19)15(20)16(13)28-7-6-21)9-22-24-17(25)11-4-2-3-5-12(11)23-18(24)26/h2-5,8-9H,7H2,1H3,(H,23,26)