8-fluoranyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-fluoranyl-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Formula: C21H15FN4O3 MolecularWeight: 390.367203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15FN4O3/c1-29-17-9-4-14(5-10-17)20-23-18-11-6-15(22)12-19(18)24-21(25-20)13-2-7-16(8-3-13)26(27)28/h2-12H,1H3,(H,23,24,25)