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

Systemtic Name: cyclopropyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-p-anisyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H25N3O4/c1-14-10-19(20(24(26)27)11-15(14)2)22-21(25)13-23(17-6-7-17)12-16-4-8-18(28-3)9-5-16/h4-5,8-11,17H,6-7,12-13H2,1-3H3,(H,22,25)/p+1