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

Systemtic Name: 4-[3-[(4-carbamimidoyl-2-nitro-phenyl)amino]propylamino]-3-nitro-benzenecarboximidamide Openeye Name: 4-[3-(4-carbamimidoyl-2-nitro-anilino)propylamino]-3-nitro-benzamidine CAS Name: 4-[3-(4-carbamimidoyl-2-nitroanilino)propylamino]-3-nitrobenzenecarboximidamide IUPAC Name: 4-[3-(4-carbamimidoyl-2-nitroanilino)propylamino]-3-nitrobenzenecarboximidamide Traditional Name: 4-[3-(4-amidino-2-nitro-anilino)propylamino]-3-nitro-benzamidine Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H20N8O4/c18-16(19)10-2-4-12(14(8-10)24(26)27)22-6-1-7-23-13-5-3-11(17(20)21)9-15(13)25(28)29/h2-5,8-9,22-23H,1,6-7H2,(H3,18,19)(H3,20,21)