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

Systemtic Name: (2S)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-phenyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-phenyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-phenyl-1,2-dihydroquinazolin-4-one Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5/c1-29-18-12-13(11-17(19(18)25)24(27)28)20-22-16-10-6-5-9-15(16)21(26)23(20)14-7-3-2-4-8-14/h2-12,20,22,25H,1H3/t20-/m0/s1