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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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