[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C=CC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H19N3O4/c1-2-3-10-19-17(23)20-15(21)12-24-16(22)9-8-13-4-6-14(11-18)7-5-13/h4-9H,2-3,10,12H2,1H3,(H2,19,20,21,23)/b9-8+