(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H12ClN3O6 MolecularWeight: 425.77878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClN3O6/c21-12-3-6-14-15(9-12)22-18(23-19(14)25)10-29-20(26)17-8-7-16(30-17)11-1-4-13(5-2-11)24(27)28/h1-9H,10H2,(H,22,23,25)