3-nitro-4-(3-oxidanylpropylamino)benzoic acid

Systemtic Name: 3-nitro-4-(3-oxidanylpropylamino)benzoic acid Openeye Name: 4-(3-hydroxypropylamino)-3-nitro-benzoic acid CAS Name: 4-(3-hydroxypropylamino)-3-nitrobenzoic acid IUPAC Name: 4-(3-hydroxypropylamino)-3-nitrobenzoic acid Traditional Name: 4-(3-hydroxypropylamino)-3-nitro-benzoic acid Formula: C10H12N2O5 MolecularWeight: 240.21268

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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)