2-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-(isobutylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-(2-methylpropylamino)-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-(2-methylpropylamino)-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-(isobutylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-8(2)6-14-12(16)7-21-11-4-3-9(15(19)20)5-10(11)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18)