N1,N4-bis[4-[N-(3-methoxypropyl)-N'-methyl-carbamimidoyl]phenyl]-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-[N-(3-methoxypropyl)-N'-methyl-carbamimidoyl]phenyl]-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-[N-(3-methoxypropyl)-N'-methyl-carbamimidoyl]phenyl]-2-nitro-terephthalamide CAS Name: N1,N4-bis[4-[(3-methoxypropylamino)-methyliminomethyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-[N-(3-methoxypropyl)-N'-methyl-amidino]phenyl]-2-nitro-terephthalamide Formula: C32H39N7O6 MolecularWeight: 617.69536

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NCCCOC)[N+](=O)[O-])NCCCOC

Isomeric SMILES

CN=C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NCCCOC)[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C32H39N7O6/c1-33-29(35-17-5-19-44-3)22-7-12-25(13-8-22)37-31(40)24-11-16-27(28(21-24)39(42)43)32(41)38-26-14-9-23(10-15-26)30(34-2)36-18-6-20-45-4/h7-16,21H,5-6,17-20H2,1-4H3,(H,33,35)(H,34,36)(H,37,40)(H,38,41)