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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-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-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-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-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C18H21ClN2O6/c1-11(2)5-6-20-18(24)21-15(22)9-25-16(23)4-3-12-7-13(19)17-14(8-12)26-10-27-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,20,21,22,24)/b4-3+