6-azanyl-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitropropyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitropropyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)N(C3=O)C)C)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)N(C3=O)C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6/c1-8(20(23)24)12(9-4-5-10-11(6-9)26-7-25-10)13-14(17)18(2)16(22)19(3)15(13)21/h4-6,8,12H,7,17H2,1-3H3/t8-,12-/m1/s1