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

Systemtic Name: cyclopropyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-p-anisyl-ammonium Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3CC3

InChI

InChI=1S/C20H23N3O5/c1-27-17-8-3-14(4-9-17)12-22(15-5-6-15)13-20(24)21-18-10-7-16(23(25)26)11-19(18)28-2/h3-4,7-11,15H,5-6,12-13H2,1-2H3,(H,21,24)/p+1