[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4/c1-3-10-27-16-7-4-14(5-8-16)12-22(2)13-19(24)21-17-11-15(20)6-9-18(17)23(25)26/h3-9,11H,1,10,12-13H2,2H3,(H,21,24)/p+1