2-(4-ethoxyphenyl)-7-fluoranyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethoxyphenyl)-7-fluoranyl-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-nitrophenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN4O3/c1-2-30-18-10-5-15(6-11-18)22-24-20-12-7-16(23)13-19(20)21(25-26-22)14-3-8-17(9-4-14)27(28)29/h3-13,25H,2H2,1H3