N1,N4-bis(3-carbamimidoylphenyl)-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(3-carbamimidoylphenyl)-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(3-carbamimidoylphenyl)-2-nitro-terephthalamide CAS Name: N1,N4-bis(3-carbamimidoylphenyl)-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(3-carbamimidoylphenyl)-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis(3-amidinophenyl)-2-nitro-terephthalamide Formula: C22H19N7O4 MolecularWeight: 445.43076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O4/c23-19(24)12-3-1-5-15(9-12)27-21(30)14-7-8-17(18(11-14)29(32)33)22(31)28-16-6-2-4-13(10-16)20(25)26/h1-11H,(H3,23,24)(H3,25,26)(H,27,30)(H,28,31)