(2-butan-2-yl-4,6-dinitro-phenyl) N-ethylcarbamate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) N-ethylcarbamate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) N-ethylcarbamate CAS Name: N-ethylcarbamic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) N-ethylcarbamate Traditional Name: N-ethylcarbamic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)NCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)NCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6/c1-4-8(3)10-6-9(15(18)19)7-11(16(20)21)12(10)22-13(17)14-5-2/h6-8H,4-5H2,1-3H3,(H,14,17)