pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 2-pyridylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 2-pyridylmethyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O6/c1-3-23-15-8-12(13(18(20)21)9-14(15)22-2)16(19)24-10-11-6-4-5-7-17-11/h4-9H,3,10H2,1-2H3