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

Systemtic Name: 4-[3-(4-carbamimidoyl-2-nitro-phenoxy)propoxy]-3-nitro-benzenecarboximidamide hydrochloride Openeye Name: 4-[3-(4-carbamimidoyl-2-nitro-phenoxy)propoxy]-3-nitro-benzamidine hydrochloride CAS Name: 4-[3-(4-carbamimidoyl-2-nitrophenoxy)propoxy]-3-nitrobenzenecarboximidamide hydrochloride IUPAC Name: 4-[3-(4-carbamimidoyl-2-nitrophenoxy)propoxy]-3-nitrobenzenecarboximidamide hydrochloride Traditional Name: 4-[3-(4-amidino-2-nitro-phenoxy)propoxy]-3-nitro-benzamidine hydrochloride Formula: C17H19ClN6O6 MolecularWeight: 438.82236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H18N6O6.ClH/c18-16(19)10-2-4-14(12(8-10)22(24)25)28-6-1-7-29-15-5-3-11(17(20)21)9-13(15)23(26)27;/h2-5,8-9H,1,6-7H2,(H3,18,19)(H3,20,21);1H