1-butyl-2-oxidanylidene-3H-benzimidazole-5-carboxylate

Systemtic Name: 1-butyl-2-oxidanylidene-3H-benzimidazole-5-carboxylate Openeye Name: 1-butyl-2-oxo-3H-benzimidazole-5-carboxylate CAS Name: 1-butyl-2-oxo-3H-benzimidazole-5-carboxylate IUPAC Name: 1-butyl-2-oxo-3H-benzimidazole-5-carboxylate Traditional Name: 1-butyl-2-keto-3H-benzimidazole-5-carboxylate Formula: C12H13N2O3- MolecularWeight: 233.24322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)[O-])NC1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)[O-])NC1=O

InChI

InChI=1S/C12H14N2O3/c1-2-3-6-14-10-5-4-8(11(15)16)7-9(10)13-12(14)17/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16)/p-1