3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-6-nitro-quinazolin-4-one CAS Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-6-nitroquinazolin-4-one Traditional Name: 3-[(2S)-2-hydroxy-3-piperonyloxy-propyl]-6-nitro-quinazolin-4-one Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@H](CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O7/c23-14(9-27-8-12-1-4-17-18(5-12)29-11-28-17)7-21-10-20-16-3-2-13(22(25)26)6-15(16)19(21)24/h1-6,10,14,23H,7-9,11H2/t14-/m0/s1