4-nitro-2-[(Z)-[4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-[4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenolate CAS Name: 4-nitro-2-[(Z)-[4-oxo-2-(phenoxymethyl)-3-quinazolinyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]phenolate Traditional Name: 2-[(Z)-[4-keto-2-(phenoxymethyl)quinazolin-3-yl]iminomethyl]-4-nitro-phenolate Formula: C22H15N4O5- MolecularWeight: 415.3783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2/N=C\C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H16N4O5/c27-20-11-10-16(26(29)30)12-15(20)13-23-25-21(14-31-17-6-2-1-3-7-17)24-19-9-5-4-8-18(19)22(25)28/h1-13,27H,14H2/p-1/b23-13-