methyl 2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H14N4O9 MolecularWeight: 466.35726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O9/c1-33-21(30)10-5-6-11-13(7-10)22-15(23-18(11)27)9-34-16(26)8-24-19(28)12-3-2-4-14(25(31)32)17(12)20(24)29/h2-7H,8-9H2,1H3,(H,22,23,27)