butyl 3-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: butyl 3-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: butyl 3-(2,4-dinitroanilino)benzoate CAS Name: 3-(2,4-dinitroanilino)benzoic acid butyl ester IUPAC Name: butyl 3-(2,4-dinitroanilino)benzoate Traditional Name: 3-(2,4-dinitroanilino)benzoic acid butyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-2-3-9-26-17(21)12-5-4-6-13(10-12)18-15-8-7-14(19(22)23)11-16(15)20(24)25/h4-8,10-11,18H,2-3,9H2,1H3