2-[3-[2-(4-nitrophenyl)carbonyloxyethyl]-2-oxidanylidene-5-phenyl-1H-imidazol-3-ium-3-yl]ethyl 4-methylbenzoate

Systemtic Name: 2-[3-[2-(4-nitrophenyl)carbonyloxyethyl]-2-oxidanylidene-5-phenyl-1H-imidazol-3-ium-3-yl]ethyl 4-methylbenzoate Openeye Name: 2-[3-[2-(4-nitrobenzoyl)oxyethyl]-2-oxo-5-phenyl-1H-imidazol-3-ium-3-yl]ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[3-[2-[(4-nitrophenyl)-oxomethoxy]ethyl]-2-oxo-5-phenyl-1H-imidazol-3-ium-3-yl]ethyl ester IUPAC Name: 2-[3-[2-(4-nitrobenzoyl)oxyethyl]-2-oxo-5-phenyl-1H-imidazol-3-ium-3-yl]ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[2-keto-1-[2-(4-nitrobenzoyl)oxyethyl]-4-phenyl-4-imidazolin-1-ium-1-yl]ethyl ester Formula: C28H26N3O7+ MolecularWeight: 516.52194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC[N+]2(C=C(NC2=O)C3=CC=CC=C3)CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC[N+]2(C=C(NC2=O)C3=CC=CC=C3)CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O7/c1-20-7-9-22(10-8-20)26(32)37-17-15-31(19-25(29-28(31)34)21-5-3-2-4-6-21)16-18-38-27(33)23-11-13-24(14-12-23)30(35)36/h2-14,19H,15-18H2,1H3/p+1