[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N3O5/c1-12-13(2)22-19(21-12)14-6-8-15(9-7-14)20(25)28-11-18(24)16-4-3-5-17(10-16)23(26)27/h3-10H,11H2,1-2H3,(H,21,22)