[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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