3-[methyl-[4-(methylamino)-3-nitro-phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[methyl-[4-(methylamino)-3-nitro-phenyl]amino]propane-1,2-diol Openeye Name: 3-[N-methyl-4-(methylamino)-3-nitro-anilino]propane-1,2-diol CAS Name: 3-[N-methyl-4-(methylamino)-3-nitroanilino]propane-1,2-diol IUPAC Name: 3-[N-methyl-4-(methylamino)-3-nitroanilino]propane-1,2-diol Traditional Name: 3-[N-methyl-4-(methylamino)-3-nitro-anilino]propane-1,2-diol Formula: C11H17N3O4 MolecularWeight: 255.27038

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)N(C)CC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)N(C)CC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O4/c1-12-10-4-3-8(5-11(10)14(17)18)13(2)6-9(16)7-15/h3-5,9,12,15-16H,6-7H2,1-2H3