4-(3-imidazol-1-ylpropylamino)-3-nitro-benzoate

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzoate Openeye Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzoate CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-nitrobenzoate IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-3-nitrobenzoate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzoate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C13H14N4O4/c18-13(19)10-2-3-11(12(8-10)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)/p-1