3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-nitrophenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-nitrophenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-nitro-phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCC(=O)O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1CCC(=O)O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c20-18(21)13-3-1-12(2-4-13)14-5-6-15(16(11-14)24(28)29)23-10-9-22(19(23)27)8-7-17(25)26/h1-6,11H,7-10H2,(H3,20,21)(H,25,26)