3-[3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[3-[(2-chlorophenyl)methoxy]-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxy-propyl]-6-nitro-quinazolin-4-one CAS Name: 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-6-nitroquinazolin-4-one Traditional Name: 3-[3-(2-chlorobenzyl)oxy-2-hydroxy-propyl]-6-nitro-quinazolin-4-one Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5/c19-16-4-2-1-3-12(16)9-27-10-14(23)8-21-11-20-17-6-5-13(22(25)26)7-15(17)18(21)24/h1-7,11,14,23H,8-10H2