[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C17H19ClN3O4+ MolecularWeight: 364.80346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O4/c1-20(9-10-25-14-5-3-2-4-6-14)12-17(22)19-16-11-13(21(23)24)7-8-15(16)18/h2-8,11H,9-10,12H2,1H3,(H,19,22)/p+1