3-(6-nitrobenzotriazol-1-yl)propane-1,2-diol

Systemtic Name: 3-(6-nitrobenzotriazol-1-yl)propane-1,2-diol Openeye Name: 3-(6-nitrobenzotriazol-1-yl)propane-1,2-diol CAS Name: 3-(6-nitro-1-benzotriazolyl)propane-1,2-diol IUPAC Name: 3-(6-nitrobenzotriazol-1-yl)propane-1,2-diol Traditional Name: 3-(6-nitrobenzotriazol-1-yl)propane-1,2-diol Formula: C9H10N4O4 MolecularWeight: 238.2001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)CC(CO)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(N=N2)CC(CO)O

InChI

InChI=1S/C9H10N4O4/c14-5-7(15)4-12-9-3-6(13(16)17)1-2-8(9)10-11-12/h1-3,7,14-15H,4-5H2