3-[(4-methyl-2,6-dinitro-phenyl)amino]propane-1,2-diol

Systemtic Name: 3-[(4-methyl-2,6-dinitro-phenyl)amino]propane-1,2-diol Openeye Name: 3-(4-methyl-2,6-dinitro-anilino)propane-1,2-diol CAS Name: 3-(4-methyl-2,6-dinitroanilino)propane-1,2-diol IUPAC Name: 3-(4-methyl-2,6-dinitroanilino)propane-1,2-diol Traditional Name: 3-(4-methyl-2,6-dinitro-anilino)propane-1,2-diol Formula: C10H13N3O6 MolecularWeight: 271.22672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O6/c1-6-2-8(12(16)17)10(9(3-6)13(18)19)11-4-7(15)5-14/h2-3,7,11,14-15H,4-5H2,1H3