(2S)-2-(5-methoxy-2-nitro-4-oxidanyl-phenyl)-3-methyl-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(5-methoxy-2-nitro-4-oxidanyl-phenyl)-3-methyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitro-phenyl)-3-methyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitrophenyl)-3-methyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitrophenyl)-3-methyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-5-methoxy-2-nitro-phenyl)-3-methyl-1,2-dihydroquinazolin-4-one Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3[N+](=O)[O-])O)OC

Isomeric SMILES

CN1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3[N+](=O)[O-])O)OC

InChI

InChI=1S/C16H15N3O5/c1-18-15(17-11-6-4-3-5-9(11)16(18)21)10-7-14(24-2)13(20)8-12(10)19(22)23/h3-8,15,17,20H,1-2H3/t15-/m0/s1