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

Systemtic Name: ethyl 4-[(2,4-dinitrophenyl)amino]butanoate Openeye Name: ethyl 4-(2,4-dinitroanilino)butanoate CAS Name: 4-(2,4-dinitroanilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dinitroanilino)butanoate Traditional Name: 4-(2,4-dinitroanilino)butyric acid ethyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-2-21-12(16)4-3-7-13-10-6-5-9(14(17)18)8-11(10)15(19)20/h5-6,8,13H,2-4,7H2,1H3