5-(3-imidazol-1-ylpropylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-nitro-benzoic acid Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-nitro-benzoic acid CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-nitrobenzoic acid IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-nitrobenzoic acid Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-nitro-benzoic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCN2C=CN=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NCCCN2C=CN=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c18-13(19)11-8-10(2-3-12(11)17(20)21)15-4-1-6-16-7-5-14-9-16/h2-3,5,7-9,15H,1,4,6H2,(H,18,19)