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

Systemtic Name: 4-tert-butyl-2-[(Z)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-tert-butyl-2-[(Z)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-tert-butyl-2-[(Z)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-tert-butyl-2-[(Z)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-tert-butyl-2-[(Z)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C20H19N4O4- MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C\C3=CC(=CC(=C3[O-])[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C20H20N4O4/c1-12-22-16-8-6-5-7-15(16)19(26)23(12)21-11-13-9-14(20(2,3)4)10-17(18(13)25)24(27)28/h5-11,25H,1-4H3/p-1/b21-11-