O1-ethyl O3-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H17N3O7/c1-3-29-19(25)12-8-13(10-14(9-12)23(27)28)20(26)30-11(2)17-21-16-7-5-4-6-15(16)18(24)22-17/h4-11H,3H2,1-2H3,(H,21,22,24)