2-[[3-(2-nitrophenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-nitrophenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-3-(2-nitrophenoxy)propyl]carbamoyl]benzoic acid CAS Name: 2-[[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-3-(2-nitrophenoxy)propyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-3-(2-nitrophenoxy)propyl]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)NCC(COC2=CC=CC=C2[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(COC2=CC=CC=C2[N+](=O)[O-])O)C(=O)O

InChI

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