3-nitro-4-(pentylamino)benzoic acid

Systemtic Name: 3-nitro-4-(pentylamino)benzoic acid Openeye Name: 3-nitro-4-(pentylamino)benzoic acid CAS Name: 3-nitro-4-(pentylamino)benzoic acid IUPAC Name: 3-nitro-4-(pentylamino)benzoic acid Traditional Name: 4-(amylamino)-3-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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