[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(aminocarbonylamino)benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)N)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)N)C

InChI

InChI=1S/C21H19N5O4/c1-25-16-8-3-4-9-17(16)26(2)19(25)15(11-22)18(27)12-30-20(28)13-6-5-7-14(10-13)24-21(23)29/h3-10H,12H2,1-2H3,(H3,23,24,29)