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

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-methoxy-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]acetonitrile CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitrophenoxy]acetonitrile Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenoxy]acetonitrile Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#N)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

COC1=CC(=CC(=C1OCC#N)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H13N5O6/c1-28-15-9-11(8-14(23(26)27)16(15)29-7-6-19)10-20-22-17(24)12-4-2-3-5-13(12)21-18(22)25/h2-5,8-10H,7H2,1H3,(H,21,25)