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

Systemtic Name: 4-[4-(4-carbamimidoyl-2-nitro-phenoxy)butoxy]-3-nitro-benzenecarboximidamide Openeye Name: 4-[4-(4-carbamimidoyl-2-nitro-phenoxy)butoxy]-3-nitro-benzamidine CAS Name: 4-[4-(4-carbamimidoyl-2-nitrophenoxy)butoxy]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[4-(4-carbamimidoyl-2-nitrophenoxy)butoxy]-3-nitrobenzenecarboximidamide Traditional Name: 4-[4-(4-amidino-2-nitro-phenoxy)butoxy]-3-nitro-benzamidine Formula: C18H20N6O6 MolecularWeight: 416.388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O6/c19-17(20)11-3-5-15(13(9-11)23(25)26)29-7-1-2-8-30-16-6-4-12(18(21)22)10-14(16)24(27)28/h3-6,9-10H,1-2,7-8H2,(H3,19,20)(H3,21,22)