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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCCN2C=CN=C2

InChI

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