N-(5-tert-butyl-2-methoxy-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)13-5-8-18(30-4)17(9-13)23-19(26)11-24-12-22-16-10-14(25(28)29)6-7-15(16)20(24)27/h5-10,12H,11H2,1-4H3,(H,23,26)