3-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-chloranyl-benzenecarboximidamide

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-chloranyl-benzenecarboximidamide Openeye Name: 3-[5-(4-carbamimidoylphenyl)isoxazol-3-yl]-4-chloro-benzamidine CAS Name: 3-[5-(4-carbamimidoylphenyl)-3-isoxazolyl]-4-chlorobenzenecarboximidamide IUPAC Name: 3-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-chlorobenzenecarboximidamide Traditional Name: 3-[5-(4-amidinophenyl)isoxazol-3-yl]-4-chloro-benzamidine Formula: C17H14ClN5O MolecularWeight: 339.77896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NO2)C3=C(C=CC(=C3)C(=N)N)Cl)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NO2)C3=C(C=CC(=C3)C(=N)N)Cl)C(=N)N

InChI

InChI=1S/C17H14ClN5O/c18-13-6-5-11(17(21)22)7-12(13)14-8-15(24-23-14)9-1-3-10(4-2-9)16(19)20/h1-8H,(H3,19,20)(H3,21,22)