7-chloranyl-3-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 7-chloro-3-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-6-nitro-quinazolin-4-one CAS Name: 7-chloro-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-6-nitro-4-quinazolinone IUPAC Name: 7-chloro-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-6-nitroquinazolin-4-one Traditional Name: 7-chloro-3-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-6-nitro-quinazolin-4-one Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C19H18ClN3O5/c1-11-3-4-12(2)18(5-11)28-9-13(24)8-22-10-21-16-7-15(20)17(23(26)27)6-14(16)19(22)25/h3-7,10,13,24H,8-9H2,1-2H3