N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-4-morpholino-3-nitro-benzamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-N-ethyl-4-morpholino-3-nitro-benzamide Formula: C22H22ClN5O5 MolecularWeight: 471.89358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O5/c1-2-26(13-20-24-17-12-15(23)4-5-16(17)21(29)25-20)22(30)14-3-6-18(19(11-14)28(31)32)27-7-9-33-10-8-27/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,25,29)