2-phenoxyethyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: 2-phenoxyethyl 4-ethoxy-3-nitro-benzoate Openeye Name: 2-phenoxyethyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid 2-phenoxyethyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6/c1-2-22-16-9-8-13(12-15(16)18(20)21)17(19)24-11-10-23-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3