3,5-dimethyl-4-nitro-benzoate

Systemtic Name: 3,5-dimethyl-4-nitro-benzoate Openeye Name: 3,5-dimethyl-4-nitro-benzoate CAS Name: 3,5-dimethyl-4-nitrobenzoate IUPAC Name: 3,5-dimethyl-4-nitrobenzoate Traditional Name: 3,5-dimethyl-4-nitro-benzoate Formula: C9H8NO4- MolecularWeight: 194.16412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)/p-1