cyclopropyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-p-anisyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3)C

InChI

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