3-nitro-4-(3-oxidanylpropylamino)benzoate

Systemtic Name: 3-nitro-4-(3-oxidanylpropylamino)benzoate Openeye Name: 4-(3-hydroxypropylamino)-3-nitro-benzoate CAS Name: 4-(3-hydroxypropylamino)-3-nitrobenzoate IUPAC Name: 4-(3-hydroxypropylamino)-3-nitrobenzoate Traditional Name: 4-(3-hydroxypropylamino)-3-nitro-benzoate Formula: C10H11N2O5- MolecularWeight: 239.20474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])NCCCO

InChI

InChI=1S/C10H12N2O5/c13-5-1-4-11-8-3-2-7(10(14)15)6-9(8)12(16)17/h2-3,6,11,13H,1,4-5H2,(H,14,15)/p-1