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

Systemtic Name: (2S)-2-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(5-chloro-2-hydroxy-3-nitro-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(5-chloro-2-hydroxy-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(5-chloro-2-hydroxy-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(5-chloro-2-hydroxy-3-nitro-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one Formula: C17H14ClN3O4 MolecularWeight: 359.76376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CC(=CC(=C4O)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1N2[C@H](NC3=CC=CC=C3C2=O)C4=CC(=CC(=C4O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O4/c18-9-7-12(15(22)14(8-9)21(24)25)16-19-13-4-2-1-3-11(13)17(23)20(16)10-5-6-10/h1-4,7-8,10,16,19,22H,5-6H2/t16-/m0/s1