phenyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: phenyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: phenyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid phenyl ester Formula: C16H15NO6 MolecularWeight: 317.2934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15NO6/c1-3-22-15-9-12(13(17(19)20)10-14(15)21-2)16(18)23-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3