[2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate

Systemtic Name: [2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate Openeye Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 3-phenylimidazole-4-carboxylate CAS Name: 3-phenyl-4-imidazolecarboxylic acid [2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate Traditional Name: 3-phenylimidazole-4-carboxylic acid [2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C19H14ClN3O5 MolecularWeight: 399.78456

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)COC(=O)C3=CN=CN3C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)COC(=O)C3=CN=CN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H14ClN3O5/c20-13-6-16-17(28-11-27-16)7-14(13)22-18(24)9-26-19(25)15-8-21-10-23(15)12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,22,24)