5-nitro-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-nitro-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(propylamino)ethoxy]-5-nitro-benzoic acid CAS Name: 5-nitro-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-nitro-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid Traditional Name: 2-[2-keto-1-methyl-2-(propylamino)ethoxy]-5-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O6/c1-3-6-14-12(16)8(2)21-11-5-4-9(15(19)20)7-10(11)13(17)18/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)(H,17,18)