(2S)-3-(4-fluorophenyl)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(4-fluorophenyl)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(4-fluorophenyl)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(4-fluorophenyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(4-fluorophenyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(4-fluorophenyl)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1O)[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/t20-/m0/s1