4-[6-(4-carbamimidoyl-2-nitro-phenoxy)hexoxy]-3-nitro-benzenecarboximidamide

Systemtic Name: 4-[6-(4-carbamimidoyl-2-nitro-phenoxy)hexoxy]-3-nitro-benzenecarboximidamide Openeye Name: 4-[6-(4-carbamimidoyl-2-nitro-phenoxy)hexoxy]-3-nitro-benzamidine CAS Name: 4-[6-(4-carbamimidoyl-2-nitrophenoxy)hexoxy]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[6-(4-carbamimidoyl-2-nitrophenoxy)hexoxy]-3-nitrobenzenecarboximidamide Traditional Name: 4-[6-(4-amidino-2-nitro-phenoxy)hexoxy]-3-nitro-benzamidine Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O6/c21-19(22)13-5-7-17(15(11-13)25(27)28)31-9-3-1-2-4-10-32-18-8-6-14(20(23)24)12-16(18)26(29)30/h5-8,11-12H,1-4,9-10H2,(H3,21,22)(H3,23,24)