[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O6/c1-18(9-19,12-3-4-12)21-15(22)8-25-16(23)7-20-17(24)11-2-5-13-14(6-11)27-10-26-13/h2,5-6,12H,3-4,7-8,10H2,1H3,(H,20,24)(H,21,22)/t18-/m0/s1