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

Systemtic Name: phenacyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: phenacyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid phenacyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c1-3-25-17-9-13(14(19(22)23)10-16(17)24-2)18(21)26-11-15(20)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3