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

Systemtic Name: 3-[[4-(methylamino)-3-nitro-phenyl]amino]propane-1,2-diol Openeye Name: 3-[4-(methylamino)-3-nitro-anilino]propane-1,2-diol CAS Name: 3-[4-(methylamino)-3-nitroanilino]propane-1,2-diol IUPAC Name: 3-[4-(methylamino)-3-nitroanilino]propane-1,2-diol Traditional Name: 3-[4-(methylamino)-3-nitro-anilino]propane-1,2-diol Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O4/c1-11-9-3-2-7(4-10(9)13(16)17)12-5-8(15)6-14/h2-4,8,11-12,14-15H,5-6H2,1H3