phenacyl 2-[(2,4-dinitrophenyl)amino]ethanoate

Systemtic Name: phenacyl 2-[(2,4-dinitrophenyl)amino]ethanoate Openeye Name: phenacyl 2-(2,4-dinitroanilino)acetate CAS Name: 2-(2,4-dinitroanilino)acetic acid phenacyl ester IUPAC Name: phenacyl 2-(2,4-dinitroanilino)acetate Traditional Name: 2-(2,4-dinitroanilino)acetic acid phenacyl ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c20-15(11-4-2-1-3-5-11)10-26-16(21)9-17-13-7-6-12(18(22)23)8-14(13)19(24)25/h1-8,17H,9-10H2