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

Systemtic Name: 7-chloranyl-6-nitro-3-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one Openeye Name: 7-chloro-3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6-nitro-quinazolin-4-one CAS Name: 7-chloro-3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6-nitro-4-quinazolinone IUPAC Name: 7-chloro-3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6-nitroquinazolin-4-one Traditional Name: 7-chloro-3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6-nitro-quinazolin-4-one Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-11-4-5-12(2)19(13(11)3)29-9-14(25)8-23-10-22-17-7-16(21)18(24(27)28)6-15(17)20(23)26/h4-7,10,14,25H,8-9H2,1-3H3