4-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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