5-(3-ethoxypropylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(3-ethoxypropylamino)-2-nitro-benzoic acid Openeye Name: 5-(3-ethoxypropylamino)-2-nitro-benzoic acid CAS Name: 5-(3-ethoxypropylamino)-2-nitrobenzoic acid IUPAC Name: 5-(3-ethoxypropylamino)-2-nitrobenzoic acid Traditional Name: 5-(3-ethoxypropylamino)-2-nitro-benzoic acid Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOCCCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N2O5/c1-2-19-7-3-6-13-9-4-5-11(14(17)18)10(8-9)12(15)16/h4-5,8,13H,2-3,6-7H2,1H3,(H,15,16)