nitro 2-ethyl-3-propan-2-yloxy-benzoate

Systemtic Name: nitro 2-ethyl-3-propan-2-yloxy-benzoate Openeye Name: nitro 2-ethyl-3-isopropoxy-benzoate CAS Name: 2-ethyl-3-propan-2-yloxybenzoic acid nitro ester IUPAC Name: nitro 2-ethyl-3-propan-2-yloxybenzoate Traditional Name: 2-ethyl-3-isopropoxy-benzoic acid nitro ester Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1OC(C)C)C(=O)O[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC=C1OC(C)C)C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-4-9-10(12(14)18-13(15)16)6-5-7-11(9)17-8(2)3/h5-8H,4H2,1-3H3