(4-aminocarbonyl-2-nitro-phenyl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-cyclopropyl-azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-cyclopropyl-azanium Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl-[(2-chloro-6-fluoro-phenyl)methyl]-cyclopropyl-ammonium CAS Name: (4-carbamoyl-2-nitrophenyl)methyl-[(2-chloro-6-fluorophenyl)methyl]-cyclopropylammonium IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl-[(2-chloro-6-fluorophenyl)methyl]-cyclopropylazanium Traditional Name: (4-carbamoyl-2-nitro-benzyl)-(2-chloro-6-fluoro-benzyl)-cyclopropyl-ammonium Formula: C18H18ClFN3O3+ MolecularWeight: 378.805223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CC1[NH+](CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H17ClFN3O3/c19-15-2-1-3-16(20)14(15)10-22(13-6-7-13)9-12-5-4-11(18(21)24)8-17(12)23(25)26/h1-5,8,13H,6-7,9-10H2,(H2,21,24)/p+1