2-methoxy-5-[[2-(2-nitrophenoxy)ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(2-nitrophenoxy)ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzoic acid Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O7/c1-25-14-7-6-11(8-12(14)17(21)22)9-18-16(20)10-26-15-5-3-2-4-13(15)19(23)24/h2-8H,9-10H2,1H3,(H,18,20)(H,21,22)