dimethyl 5-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(7-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(7-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-keto-7-nitro-quinazolin-3-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N4O8 MolecularWeight: 440.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N4O8/c1-31-19(27)11-5-12(20(28)32-2)7-13(6-11)22-17(25)9-23-10-21-16-8-14(24(29)30)3-4-15(16)18(23)26/h3-8,10H,9H2,1-2H3,(H,22,25)