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

Systemtic Name: 3-[(2-nitro-4-pyrrolidin-1-yl-phenyl)amino]propane-1,2-diol Openeye Name: 3-(2-nitro-4-pyrrolidin-1-yl-anilino)propane-1,2-diol CAS Name: 3-[2-nitro-4-(1-pyrrolidinyl)anilino]propane-1,2-diol IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylanilino)propane-1,2-diol Traditional Name: 3-(2-nitro-4-pyrrolidino-anilino)propane-1,2-diol Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)NCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)NCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c17-9-11(18)8-14-12-4-3-10(7-13(12)16(19)20)15-5-1-2-6-15/h3-4,7,11,14,17-18H,1-2,5-6,8-9H2