[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C(=C2C)C)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C(=C2C)C)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO5/c1-11-7-8-17(9-18(11)22(25)26)19(23)10-27-21(24)20-15(5)13(3)12(2)14(4)16(20)6/h7-9H,10H2,1-6H3