4-[5-[(4-carbamimidoyl-2-nitro-phenyl)amino]pentylamino]-3-nitro-benzenecarboximidamide

Systemtic Name: 4-[5-[(4-carbamimidoyl-2-nitro-phenyl)amino]pentylamino]-3-nitro-benzenecarboximidamide Openeye Name: 4-[5-(4-carbamimidoyl-2-nitro-anilino)pentylamino]-3-nitro-benzamidine CAS Name: 4-[5-(4-carbamimidoyl-2-nitroanilino)pentylamino]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[5-(4-carbamimidoyl-2-nitroanilino)pentylamino]-3-nitrobenzenecarboximidamide Traditional Name: 4-[5-(4-amidino-2-nitro-anilino)pentylamino]-3-nitro-benzamidine Formula: C19H24N8O4 MolecularWeight: 428.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N8O4/c20-18(21)12-4-6-14(16(10-12)26(28)29)24-8-2-1-3-9-25-15-7-5-13(19(22)23)11-17(15)27(30)31/h4-7,10-11,24-25H,1-3,8-9H2,(H3,20,21)(H3,22,23)