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

Systemtic Name: (2S)-3-cyclopropyl-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-cyclopropyl-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-cyclopropyl-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-cyclopropyl-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-cyclopropyl-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C18H17N3O5/c1-26-15-9-10(8-14(16(15)22)21(24)25)17-19-13-5-3-2-4-12(13)18(23)20(17)11-6-7-11/h2-5,8-9,11,17,19,22H,6-7H2,1H3/t17-/m0/s1