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

Systemtic Name: 3-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-nitro-quinazolin-4-one CAS Name: 3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-nitroquinazolin-4-one Traditional Name: 3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-nitro-quinazolin-4-one Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O5/c1-12-3-2-4-15(7-12)26-10-14(22)9-20-11-19-17-6-5-13(21(24)25)8-16(17)18(20)23/h2-8,11,14,22H,9-10H2,1H3/t14-/m0/s1