4-[2-(4-carbamimidoyl-2-nitro-phenoxy)ethoxy]-3-nitro-benzenecarboximidamide

Systemtic Name: 4-[2-(4-carbamimidoyl-2-nitro-phenoxy)ethoxy]-3-nitro-benzenecarboximidamide Openeye Name: 4-[2-(4-carbamimidoyl-2-nitro-phenoxy)ethoxy]-3-nitro-benzamidine CAS Name: 4-[2-(4-carbamimidoyl-2-nitrophenoxy)ethoxy]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[2-(4-carbamimidoyl-2-nitrophenoxy)ethoxy]-3-nitrobenzenecarboximidamide Traditional Name: 4-[2-(4-amidino-2-nitro-phenoxy)ethoxy]-3-nitro-benzamidine Formula: C16H16N6O6 MolecularWeight: 388.33484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O6/c17-15(18)9-1-3-13(11(7-9)21(23)24)27-5-6-28-14-4-2-10(16(19)20)8-12(14)22(25)26/h1-4,7-8H,5-6H2,(H3,17,18)(H3,19,20)