3-[(2-methyl-4-oxidanyl-butan-2-yl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(2-methyl-4-oxidanyl-butan-2-yl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[(3-hydroxy-1,1-dimethyl-propyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(4-hydroxy-2-methylbutan-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(3-hydroxy-1,1-dimethyl-propyl)carbamoyl]-5-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-13(2,3-4-16)14-11(17)8-5-9(12(18)19)7-10(6-8)15(20)21/h5-7,16H,3-4H2,1-2H3,(H,14,17)(H,18,19)