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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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