[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-11-3-4-12(2)15(9-11)16(19)10-23-17(20)13-5-7-14(8-6-13)18(21)22/h3-9H,10H2,1-2H3