(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O6/c21-12-1-3-14-16(9-12)22-18(23-19(14)26)11-31-20(27)15-10-13(25(28)29)2-4-17(15)24-5-7-30-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,26)