2-(morpholin-4-ylmethyl)-7-nitro-5,6-bis(oxidanyl)-2,3-dihydroinden-1-one hydrochloride

Systemtic Name: 2-(morpholin-4-ylmethyl)-7-nitro-5,6-bis(oxidanyl)-2,3-dihydroinden-1-one hydrochloride Openeye Name: 5,6-dihydroxy-2-(morpholinomethyl)-7-nitro-indan-1-one hydrochloride CAS Name: 5,6-dihydroxy-2-(4-morpholinylmethyl)-7-nitro-2,3-dihydroinden-1-one hydrochloride IUPAC Name: 5,6-dihydroxy-2-(morpholin-4-ylmethyl)-7-nitro-2,3-dihydroinden-1-one hydrochloride Traditional Name: 5,6-dihydroxy-2-(morpholinomethyl)-7-nitro-indan-1-one hydrochloride Formula: C14H17ClN2O6 MolecularWeight: 344.74758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O.Cl

Isomeric SMILES

C1COCCN1CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O.Cl

InChI

InChI=1S/C14H16N2O6.ClH/c17-10-6-8-5-9(7-15-1-3-22-4-2-15)13(18)11(8)12(14(10)19)16(20)21;/h6,9,17,19H,1-5,7H2;1H