4-nitro-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-nitro-2-[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[6-(4-benzyloxyphenoxy)-3-pyridyl]acetyl]amino]-4-nitro-benzoic acid CAS Name: 4-nitro-2-[[1-oxo-2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 4-nitro-2-[[2-[6-(4-phenylmethoxyphenoxy)pyridin-3-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[6-(4-benzoxyphenoxy)-3-pyridyl]acetyl]amino]-4-nitro-benzoic acid Formula: C27H21N3O7 MolecularWeight: 499.47154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=NC=C(C=C3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H21N3O7/c31-25(29-24-15-20(30(34)35)7-12-23(24)27(32)33)14-19-6-13-26(28-16-19)37-22-10-8-21(9-11-22)36-17-18-4-2-1-3-5-18/h1-13,15-16H,14,17H2,(H,29,31)(H,32,33)