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

Systemtic Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2S)-3-(4-fluorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C20H13FN3O4- MolecularWeight: 378.333323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N([C@H](N2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H14FN3O4/c21-13-6-8-14(9-7-13)23-19(12-5-10-18(25)17(11-12)24(27)28)22-16-4-2-1-3-15(16)20(23)26/h1-11,19,22,25H/p-1/t19-/m0/s1