[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-20(10-11-26-14-6-4-3-5-7-14)13-18(22)19-16-9-8-15(25-2)12-17(16)21(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)/p+1