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

Systemtic Name: cyclooctyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]ammonium Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH2+]C2CCCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C17H25N3O4/c1-24-16-11-14(20(22)23)9-10-15(16)19-17(21)12-18-13-7-5-3-2-4-6-8-13/h9-11,13,18H,2-8,12H2,1H3,(H,19,21)/p+1