butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate

Systemtic Name: butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate Openeye Name: butyl 4-[(3,5-dinitro-2-pyridyl)amino]benzoate CAS Name: 4-[(3,5-dinitro-2-pyridinyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate Traditional Name: 4-[(3,5-dinitro-2-pyridyl)amino]benzoic acid butyl ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6/c1-2-3-8-26-16(21)11-4-6-12(7-5-11)18-15-14(20(24)25)9-13(10-17-15)19(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)