N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-methyl-2-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-4-methyl-2-nitro-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-4-methyl-2-nitro-benzamide CAS Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-hydroxy-4-methyl-2-nitrobenzamide IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-hydroxy-4-methyl-2-nitrobenzamide Traditional Name: 3-hydroxy-N-(2-hydroxy-1,1-dimethylol-ethyl)-4-methyl-2-nitro-benzamide Formula: C12H16N2O7 MolecularWeight: 300.26464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-])O

InChI

InChI=1S/C12H16N2O7/c1-7-2-3-8(9(10(7)18)14(20)21)11(19)13-12(4-15,5-16)6-17/h2-3,15-18H,4-6H2,1H3,(H,13,19)