3-butan-2-yl-N,N,4-trimethyl-2,6-dinitro-aniline

Systemtic Name: 3-butan-2-yl-N,N,4-trimethyl-2,6-dinitro-aniline Openeye Name: N,N,4-trimethyl-2,6-dinitro-3-sec-butyl-aniline CAS Name: 3-butan-2-yl-N,N,4-trimethyl-2,6-dinitroaniline IUPAC Name: 3-butan-2-yl-N,N,4-trimethyl-2,6-dinitroaniline Traditional Name: dimethyl-(4-methyl-2,6-dinitro-3-sec-butyl-phenyl)amine Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=C(C=C1C)[N+](=O)[O-])N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=C(C(=C(C=C1C)[N+](=O)[O-])N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-6-8(2)11-9(3)7-10(15(17)18)12(14(4)5)13(11)16(19)20/h7-8H,6H2,1-5H3