2-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-[isopropyl(methyl)amino]-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-[isopropyl(methyl)amino]-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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