6-chloranyl-3-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]quinazolin-4-one Openeye Name: 6-chloro-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]quinazolin-4-one CAS Name: 6-chloro-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]quinazolin-4-one Traditional Name: 6-chloro-3-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]quinazolin-4-one Formula: C17H14ClN3O5 MolecularWeight: 375.76316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC[C@H](CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O5/c18-11-4-5-16-15(6-11)17(23)20(10-19-16)8-13(22)9-26-14-3-1-2-12(7-14)21(24)25/h1-7,10,13,22H,8-9H2/t13-/m0/s1