2-[(E)-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-tert-butyl-6-nitro-phenolate

Systemtic Name: 2-[(E)-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-tert-butyl-6-nitro-phenolate Openeye Name: 4-tert-butyl-2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-tert-butyl-2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-tert-butyl-2-[(E)-(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-tert-butyl-2-[(E)-(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C19H17N4O5- MolecularWeight: 381.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)/C=N/N2C(=O)C3=CC=CC=C3NC2=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-19(2,3)12-8-11(16(24)15(9-12)23(27)28)10-20-22-17(25)13-6-4-5-7-14(13)21-18(22)26/h4-10,24H,1-3H3,(H,21,26)/p-1/b20-10+