[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H17N3O5/c1-12-5-6-13(18(24)26-11-16(22)20-8-3-7-19)10-14(12)21-17(23)15-4-2-9-25-15/h2,4-6,9-10H,3,8,11H2,1H3,(H,20,22)(H,21,23)