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

Systemtic Name: (2S)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-phenethyl-1,2-dihydroquinazolin-4-one Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-31-20-14-16(13-19(21(20)27)26(29)30)22-24-18-10-6-5-9-17(18)23(28)25(22)12-11-15-7-3-2-4-8-15/h2-10,13-14,22,24,27H,11-12H2,1H3/t22-/m0/s1