cyclopropyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-p-anisyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-14-10-19(24(26)27)20(29-3)11-18(14)22-21(25)13-23(16-6-7-16)12-15-4-8-17(28-2)9-5-15/h4-5,8-11,16H,6-7,12-13H2,1-3H3,(H,22,25)/p+1