3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-nitro-2-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one

Systemtic Name: 3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-7-nitro-2-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one Openeye Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-nitro-2-(2H-tetrazol-5-yl)quinazolin-4-one CAS Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-nitro-2-(2H-tetrazol-5-yl)-4-quinazolinone IUPAC Name: 3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-nitro-2-(2H-tetrazol-5-yl)quinazolin-4-one Traditional Name: 3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-7-nitro-2-(2H-tetrazol-5-yl)quinazolin-4-one Formula: C18H14FN7O4 MolecularWeight: 411.346663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCN2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C4=NNN=N4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CCN2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C4=NNN=N4)F

InChI

InChI=1S/C18H14FN7O4/c1-30-12-4-2-10(14(19)9-12)6-7-25-17(16-21-23-24-22-16)20-15-8-11(26(28)29)3-5-13(15)18(25)27/h2-5,8-9H,6-7H2,1H3,(H,21,22,23,24)