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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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