1-[(2,4-dinitrophenyl)-propyl-amino]-3-methyl-butane-2,3-diol

Systemtic Name: 1-[(2,4-dinitrophenyl)-propyl-amino]-3-methyl-butane-2,3-diol Openeye Name: 1-(2,4-dinitro-N-propyl-anilino)-3-methyl-butane-2,3-diol CAS Name: 1-(2,4-dinitro-N-propylanilino)-3-methylbutane-2,3-diol IUPAC Name: 1-(2,4-dinitro-N-propylanilino)-3-methylbutane-2,3-diol Traditional Name: 1-(2,4-dinitro-N-propyl-anilino)-3-methyl-butane-2,3-diol Formula: C14H21N3O6 MolecularWeight: 327.33304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O6/c1-4-7-15(9-13(18)14(2,3)19)11-6-5-10(16(20)21)8-12(11)17(22)23/h5-6,8,13,18-19H,4,7,9H2,1-3H3