phenacyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: phenacyl 2-(methylamino)-5-nitro-benzoate Openeye Name: phenacyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid phenacyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O5/c1-17-14-8-7-12(18(21)22)9-13(14)16(20)23-10-15(19)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3