6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-(2-nitroethyl)pyridazin-3-one; 2-nitroethanol

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-(2-nitroethyl)pyridazin-3-one; 2-nitroethanol Openeye Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-nitroethyl)pyridazin-3-one; 2-nitroethanol CAS Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-2-(2-nitroethyl)-3-pyridazinone; 2-nitroethanol IUPAC Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-nitroethyl)pyridazin-3-one; 2-nitroethanol Traditional Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-(2-nitroethyl)pyridazin-3-one; 2-nitroethanol Formula: C21H27N5O10 MolecularWeight: 509.46658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CC[N+](=O)[O-])O)COC.C(CO)[N+](=O)[O-]

Isomeric SMILES

COCC1(C(=C(C2=CC=CC=C2O1)NC3=NN(C(=O)C=C3)CC[N+](=O)[O-])O)COC.C(CO)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O7.C2H5NO3/c1-28-11-19(12-29-2)18(25)17(13-5-3-4-6-14(13)30-19)20-15-7-8-16(24)22(21-15)9-10-23(26)27;4-2-1-3(5)6/h3-8,25H,9-12H2,1-2H3,(H,20,21);4H,1-2H2