[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H17FN4O4 MolecularWeight: 384.361083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)NC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)NC(=O)N

InChI

InChI=1S/C19H17FN4O4/c20-14-4-8-16(9-5-14)24(11-1-10-21)17(25)12-28-18(26)13-2-6-15(7-3-13)23-19(22)27/h2-9H,1,11-12H2,(H3,22,23,27)