4-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid Openeye Name: 4-[2-[isopropyl(methyl)amino]-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 4-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoic acid IUPAC Name: 4-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-[isopropyl(methyl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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