[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H19N3O5/c1-16-9-10-17(14-19(16)25-22(28)20-8-5-13-30-20)23(29)31-15-21(27)26(12-11-24)18-6-3-2-4-7-18/h2-10,13-14H,12,15H2,1H3,(H,25,28)