3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitrophenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitrophenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-nitro-phenyl]propionic acid Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N2)C3=CC(=C(C=C3)CCC(=O)O)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N2)C3=CC(=C(C=C3)CCC(=O)O)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C19H17N5O4/c20-18(21)13-4-1-11(2-5-13)15-10-22-19(23-15)14-6-3-12(7-8-17(25)26)16(9-14)24(27)28/h1-6,9-10H,7-8H2,(H3,20,21)(H,22,23)(H,25,26)