2-bromanyl-2-nitro-propane-1,3-diol; methyl N-(1H-benzimidazol-2-yl)carbamate

Systemtic Name: 2-bromanyl-2-nitro-propane-1,3-diol; methyl N-(1H-benzimidazol-2-yl)carbamate Openeye Name: 2-bromo-2-nitro-propane-1,3-diol; methyl N-(1H-benzimidazol-2-yl)carbamate CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 2-bromo-2-nitropropane-1,3-diol IUPAC Name: 2-bromo-2-nitropropane-1,3-diol; methyl N-(1H-benzimidazol-2-yl)carbamate Traditional Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester; 2-bromo-2-nitro-propane-1,3-diol Formula: C12H15BrN4O6 MolecularWeight: 391.1747

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=CC=CC=C2N1.C(C(CO)([N+](=O)[O-])Br)O

Isomeric SMILES

COC(=O)NC1=NC2=CC=CC=C2N1.C(C(CO)([N+](=O)[O-])Br)O

InChI

InChI=1S/C9H9N3O2.C3H6BrNO4/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;4-3(1-6,2-7)5(8)9/h2-5H,1H3,(H2,10,11,12,13);6-7H,1-2H2