3-nitro-4-[2-oxidanylidene-2-(propylamino)ethoxy]benzoic acid

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(propylamino)ethoxy]benzoic acid Openeye Name: 3-nitro-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid CAS Name: 3-nitro-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid IUPAC Name: 3-nitro-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid Traditional Name: 4-[2-keto-2-(propylamino)ethoxy]-3-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-2-5-13-11(15)7-20-10-4-3-8(12(16)17)6-9(10)14(18)19/h3-4,6H,2,5,7H2,1H3,(H,13,15)(H,16,17)