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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-nitro-benzenecarboximidamide dihydrochloride Openeye Name: 3-[5-(4-carbamimidoylphenyl)isoxazol-3-yl]-4-nitro-benzamidine dihydrochloride CAS Name: 3-[5-(4-carbamimidoylphenyl)-3-isoxazolyl]-4-nitrobenzenecarboximidamide dihydrochloride IUPAC Name: 3-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]-4-nitrobenzenecarboximidamide dihydrochloride Traditional Name: 3-[5-(4-amidinophenyl)isoxazol-3-yl]-4-nitro-benzamidine dihydrochloride Formula: C17H16Cl2N6O3 MolecularWeight: 423.25334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NO2)C3=C(C=CC(=C3)C(=N)N)[N+](=O)[O-])C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NO2)C3=C(C=CC(=C3)C(=N)N)[N+](=O)[O-])C(=N)N.Cl.Cl

InChI

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