2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-ethoxy-6-nitro-phenoxy]propanoic acid

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-ethoxy-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitro-phenoxy]propanoic acid CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]propanoic acid Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitro-phenoxy]propionic acid Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(C)C(=O)O)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(C)C(=O)O)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H18N4O8/c1-3-31-16-9-12(8-15(24(29)30)17(16)32-11(2)19(26)27)10-21-23-18(25)13-6-4-5-7-14(13)22-20(23)28/h4-11H,3H2,1-2H3,(H,22,28)(H,26,27)