2-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-3-(4-nitrophenoxy)propyl]carbamoyl]benzoic acid CAS Name: 2-[[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-3-(4-nitrophenoxy)propyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-3-(4-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=C(C=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

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

InChI

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