(2-butan-2-yl-4,6-dinitro-phenyl)-ethyl-carbamic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1N(CC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1N(CC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

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