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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4CC4)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@H]2NC3=CC=CC=C3C(=O)N2C4CC4)[N+](=O)[O-])O

InChI

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