[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O8 MolecularWeight: 393.34806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H19N3O8/c1-9(15(21)19-17(23)18-10-4-2-3-5-10)28-16(22)11-6-13-14(27-8-26-13)7-12(11)20(24)25/h6-7,9-10H,2-5,8H2,1H3,(H2,18,19,21,23)