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

Systemtic Name: (2S)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-]

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-3-8-20-17(19-13-7-5-4-6-12(13)18(20)23)11-9-14(21(24)25)16(22)15(10-11)26-2/h4-7,9-10,17,19,22H,3,8H2,1-2H3/t17-/m0/s1