4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-[(2-nitrophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-N-(4-amidinophenyl)-1-(2-nitrobenzyl)pyrrolidine-2-carboxamide Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=N)N)CC3=CC=CC=C3[N+](=O)[O-])OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=N)N)CC3=CC=CC=C3[N+](=O)[O-])OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H27N7O4/c27-24(28)16-8-10-19(11-9-16)31-26(34)23-13-21(37-20-6-3-5-17(12-20)25(29)30)15-32(23)14-18-4-1-2-7-22(18)33(35)36/h1-12,21,23H,13-15H2,(H3,27,28)(H3,29,30)(H,31,34)