4-[(2S)-3-(4-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2S)-3-(4-fluorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C21H15FN3O5- MolecularWeight: 408.359303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O5/c1-30-18-11-12(10-17(19(18)26)25(28)29)20-23-16-5-3-2-4-15(16)21(27)24(20)14-8-6-13(22)7-9-14/h2-11,20,23,26H,1H3/p-1/t20-/m0/s1