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

Systemtic Name: ethyl 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-ethoxy-6-nitro-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitro-phenoxy]acetate CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitrophenoxy]acetate Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxy-6-nitro-phenoxy]acetic acid ethyl ester Formula: C21H20N4O8 MolecularWeight: 456.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC(=O)OCC)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(=O)OCC)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H20N4O8/c1-3-31-17-10-13(9-16(25(29)30)19(17)33-12-18(26)32-4-2)11-22-24-20(27)14-7-5-6-8-15(14)23-21(24)28/h5-11H,3-4,12H2,1-2H3,(H,23,28)