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

Systemtic Name: 4-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]-3-nitro-benzenecarboximidamide Openeye Name: 4-[5-(3-carbamimidoylphenyl)isoxazol-3-yl]-3-nitro-benzamidine CAS Name: 4-[5-(3-carbamimidoylphenyl)-3-isoxazolyl]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]-3-nitrobenzenecarboximidamide Traditional Name: 4-[5-(3-amidinophenyl)isoxazol-3-yl]-3-nitro-benzamidine Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3/c18-16(19)10-3-1-2-9(6-10)15-8-13(22-26-15)12-5-4-11(17(20)21)7-14(12)23(24)25/h1-8H,(H3,18,19)(H3,20,21)