2-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]carbamoyl]benzoic acid Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C17H16N2O7/c20-9-14(15(21)10-5-7-11(8-6-10)19(25)26)18-16(22)12-3-1-2-4-13(12)17(23)24/h1-8,14-15,20-21H,9H2,(H,18,22)(H,23,24)