4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboximidamide

Systemtic Name: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboximidamide Openeye Name: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzamidine CAS Name: 4-[5-(4-carbamimidoyl-2-nitrophenoxy)pentoxy]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[5-(4-carbamimidoyl-2-nitrophenoxy)pentoxy]-3-nitrobenzenecarboximidamide Traditional Name: 4-[5-(4-amidino-2-nitro-phenoxy)pentoxy]-3-nitro-benzamidine Formula: C19H22N6O6 MolecularWeight: 430.41458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O6/c20-18(21)12-4-6-16(14(10-12)24(26)27)30-8-2-1-3-9-31-17-7-5-13(19(22)23)11-15(17)25(28)29/h4-7,10-11H,1-3,8-9H2,(H3,20,21)(H3,22,23)