3-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-6-nitro-quinazolin-4-one CAS Name: 3-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-6-nitroquinazolin-4-one Traditional Name: 3-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-6-nitro-quinazolin-4-one Formula: C17H14ClN3O5 MolecularWeight: 375.76316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC[C@H](CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)Cl

InChI

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