2-nitro-5-(pentylamino)benzoate

Systemtic Name: 2-nitro-5-(pentylamino)benzoate Openeye Name: 2-nitro-5-(pentylamino)benzoate CAS Name: 2-nitro-5-(pentylamino)benzoate IUPAC Name: 2-nitro-5-(pentylamino)benzoate Traditional Name: 5-(amylamino)-2-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-2-3-4-7-13-9-5-6-11(14(17)18)10(8-9)12(15)16/h5-6,8,13H,2-4,7H2,1H3,(H,15,16)/p-1