3-[[2-methyl-3,3-bis(oxidanyl)propyl]carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[2-methyl-3,3-bis(oxidanyl)propyl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[(3,3-dihydroxy-2-methyl-propyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(3,3-dihydroxy-2-methylpropyl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(3,3-dihydroxy-2-methylpropyl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(3,3-dihydroxy-2-methyl-propyl)carbamoyl]-5-nitro-benzoic acid Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7/c1-6(11(16)17)5-13-10(15)7-2-8(12(18)19)4-9(3-7)14(20)21/h2-4,6,11,16-17H,5H2,1H3,(H,13,15)(H,18,19)