2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzoate

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzoate Openeye Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzoate CAS Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzoate IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzoate Traditional Name: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitro-benzoate Formula: C12H11N4O4- MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])NCCC2=CN=CN2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])NCCC2=CN=CN2

InChI

InChI=1S/C12H12N4O4/c17-12(18)10-5-9(16(19)20)1-2-11(10)14-4-3-8-6-13-7-15-8/h1-2,5-7,14H,3-4H2,(H,13,15)(H,17,18)/p-1