3-methyl-5-[2-(4-nitrophenoxy)ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-5-[2-(4-nitrophenoxy)ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C16H14N2O7/c1-9-6-10(7-13(15(9)20)16(21)22)17-14(19)8-25-12-4-2-11(3-5-12)18(23)24/h2-7,20H,8H2,1H3,(H,17,19)(H,21,22)