2-[5-[[4-(4-carbamimidoylphenyl)-2-nitro-phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-nitro-phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-nitro-phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-nitrophenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(4-carbamimidoylphenyl)-2-nitrophenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(4-amidinophenyl)-2-nitro-phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C26H25N5O6 MolecularWeight: 503.5066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-])C(=O)C4=CN=CC=C4)CC(=O)O

Isomeric SMILES

C1C(CN(C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-])C(=O)C4=CN=CC=C4)CC(=O)O

InChI

InChI=1S/C26H25N5O6/c27-25(28)18-5-3-17(4-6-18)19-7-8-23(22(12-19)31(35)36)37-15-21-10-16(11-24(32)33)14-30(21)26(34)20-2-1-9-29-13-20/h1-9,12-13,16,21H,10-11,14-15H2,(H3,27,28)(H,32,33)