phenacyl 2-methoxy-5-nitro-benzoate

Systemtic Name: phenacyl 2-methoxy-5-nitro-benzoate Openeye Name: phenacyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid phenacyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-22-15-8-7-12(17(20)21)9-13(15)16(19)23-10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3