1-(6-nitro-1,3-benzodioxol-5-yl)ethyl [2-oxidanylidene-2-(2-oxidanylpentan-3-ylamino)ethyl] carbonate

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl [2-oxidanylidene-2-(2-oxidanylpentan-3-ylamino)ethyl] carbonate Openeye Name: [2-[(1-ethyl-2-hydroxy-propyl)amino]-2-oxo-ethyl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate CAS Name: carbonic acid [2-(2-hydroxypentan-3-ylamino)-2-oxoethyl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: [2-(2-hydroxypentan-3-ylamino)-2-oxoethyl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl carbonate Traditional Name: carbonic acid [2-[(1-ethyl-2-hydroxy-propyl)amino]-2-keto-ethyl] 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester Formula: C17H22N2O9 MolecularWeight: 398.36458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)NC(=O)COC(=O)OC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCC(C(C)O)NC(=O)COC(=O)OC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H22N2O9/c1-4-12(9(2)20)18-16(21)7-25-17(22)28-10(3)11-5-14-15(27-8-26-14)6-13(11)19(23)24/h5-6,9-10,12,20H,4,7-8H2,1-3H3,(H,18,21)