[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H19ClN2O6/c19-13-7-11(8-14-17(13)27-10-26-14)5-6-16(23)25-9-15(22)21-18(24)20-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H2,20,21,22,24)/b6-5+