4-tert-butyl-2-[(6,7-dimethoxy-2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-tert-butyl-2-[(6,7-dimethoxy-2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-tert-butyl-2-[(6,7-dimethoxy-2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-tert-butyl-2-[(6,7-dimethoxy-2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-tert-butyl-2-[(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-tert-butyl-2-[(4-keto-6,7-dimethoxy-2-methyl-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C22H23N4O6- MolecularWeight: 439.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])C(C)(C)C)OC)OC

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])C(C)(C)C)OC)OC

InChI

InChI=1S/C22H24N4O6/c1-12-24-16-10-19(32-6)18(31-5)9-15(16)21(28)25(12)23-11-13-7-14(22(2,3)4)8-17(20(13)27)26(29)30/h7-11,27H,1-6H3/p-1