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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenoxy]acetonitrile Formula: C17H10BrN5O5 MolecularWeight: 444.1958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC(=C(C(=C3)Br)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC(=C(C(=C3)Br)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H10BrN5O5/c18-12-7-10(8-14(23(26)27)15(12)28-6-5-19)9-20-22-16(24)11-3-1-2-4-13(11)21-17(22)25/h1-4,7-9H,6H2,(H,21,25)