3-azanyl-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-4-(2-chlorophenyl)-2-(2-fluorophenyl)-7-nitro-isocarbostyril Formula: C21H13ClFN3O3 MolecularWeight: 409.797623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F)N)Cl

InChI

InChI=1S/C21H13ClFN3O3/c22-16-6-2-1-5-14(16)19-13-10-9-12(26(28)29)11-15(13)21(27)25(20(19)24)18-8-4-3-7-17(18)23/h1-11H,24H2