phenacyl 4-(dimethylamino)-3,5-dinitro-benzoate

Systemtic Name: phenacyl 4-(dimethylamino)-3,5-dinitro-benzoate Openeye Name: phenacyl 4-(dimethylamino)-3,5-dinitro-benzoate CAS Name: 4-(dimethylamino)-3,5-dinitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-(dimethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(dimethylamino)-3,5-dinitro-benzoic acid phenacyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c1-18(2)16-13(19(23)24)8-12(9-14(16)20(25)26)17(22)27-10-15(21)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3