cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclopropyl-(4-fluorobenzyl)-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C19H21FN3O4+ MolecularWeight: 374.386143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C19H20FN3O4/c1-27-18-9-8-16(23(25)26)10-17(18)21-19(24)12-22(15-6-7-15)11-13-2-4-14(20)5-3-13/h2-5,8-10,15H,6-7,11-12H2,1H3,(H,21,24)/p+1