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

Systemtic Name: 4-[5-(5-carbamimidoyl-2-methoxy-phenyl)-1,2-oxazol-3-yl]-3-nitro-benzenecarboximidamide dihydrochloride Openeye Name: 4-[5-(5-carbamimidoyl-2-methoxy-phenyl)isoxazol-3-yl]-3-nitro-benzamidine dihydrochloride CAS Name: 4-[5-(5-carbamimidoyl-2-methoxyphenyl)-3-isoxazolyl]-3-nitrobenzenecarboximidamide dihydrochloride IUPAC Name: 4-[5-(5-carbamimidoyl-2-methoxyphenyl)-1,2-oxazol-3-yl]-3-nitrobenzenecarboximidamide dihydrochloride Traditional Name: 4-[5-(5-amidino-2-methoxy-phenyl)isoxazol-3-yl]-3-nitro-benzamidine dihydrochloride Formula: C18H18Cl2N6O4 MolecularWeight: 453.27932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C18H16N6O4.2ClH/c1-27-15-5-3-9(17(19)20)6-12(15)16-8-13(23-28-16)11-4-2-10(18(21)22)7-14(11)24(25)26;;/h2-8H,1H3,(H3,19,20)(H3,21,22);2*1H