2-phenoxyethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 2-phenoxyethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 2-phenoxyethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 2-phenoxyethyl ester Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCOC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO7/c1-22-15-10-13(14(18(20)21)11-16(15)23-2)17(19)25-9-8-24-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3