[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 1H-benzimidazole-4-carboxylate

Systemtic Name: [4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl 1H-benzimidazole-4-carboxylate Openeye Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 1H-benzimidazole-4-carboxylate CAS Name: 1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl ester IUPAC Name: [4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl 1H-benzimidazole-4-carboxylate Traditional Name: 1H-benzimidazole-4-carboxylic acid [4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl] ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3=C4C(=CC=C3)NC=N4)C(=NO)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3=C4C(=CC=C3)NC=N4)/C(=N\O)/N

InChI

InChI=1S/C22H18N4O3/c23-21(26-28)17-5-2-1-4-16(17)15-10-8-14(9-11-15)12-29-22(27)18-6-3-7-19-20(18)25-13-24-19/h1-11,13,28H,12H2,(H2,23,26)(H,24,25)