3,4-dimethyl-2,6-dinitro-5-pentan-3-yl-aniline

Systemtic Name: 3,4-dimethyl-2,6-dinitro-5-pentan-3-yl-aniline Openeye Name: 3-(1-ethylpropyl)-4,5-dimethyl-2,6-dinitro-aniline CAS Name: 3,4-dimethyl-2,6-dinitro-5-pentan-3-ylaniline IUPAC Name: 3,4-dimethyl-2,6-dinitro-5-pentan-3-ylaniline Traditional Name: [3-(1-ethylpropyl)-4,5-dimethyl-2,6-dinitro-phenyl]amine Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-5-9(6-2)10-7(3)8(4)12(15(17)18)11(14)13(10)16(19)20/h9H,5-6,14H2,1-4H3