3-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-5-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-12(2,6-15)13-10(16)7-3-8(11(17)18)5-9(4-7)14(19)20/h3-5,15H,6H2,1-2H3,(H,13,16)(H,17,18)