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

Systemtic Name: phenacyl 4-[(2,4-dinitrophenyl)amino]butanoate Openeye Name: phenacyl 4-(2,4-dinitroanilino)butanoate CAS Name: 4-(2,4-dinitroanilino)butanoic acid phenacyl ester IUPAC Name: phenacyl 4-(2,4-dinitroanilino)butanoate Traditional Name: 4-(2,4-dinitroanilino)butyric acid phenacyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c22-17(13-5-2-1-3-6-13)12-28-18(23)7-4-10-19-15-9-8-14(20(24)25)11-16(15)21(26)27/h1-3,5-6,8-9,11,19H,4,7,10,12H2