3-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl]-4-keto-phthalazine-1-carboxylate Formula: C19H14ClN4O4- MolecularWeight: 397.79186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(N3CCO)C=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(N3CCO)C=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C19H15ClN4O4/c20-11-5-6-14-15(9-11)23(7-8-25)16(21-14)10-24-18(26)13-4-2-1-3-12(13)17(22-24)19(27)28/h1-6,9,25H,7-8,10H2,(H,27,28)/p-1