4-(1-nitroethyl)-3-[2-[2-(4-phenylmethoxyphenyl)ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 4-(1-nitroethyl)-3-[2-[2-(4-phenylmethoxyphenyl)ethoxy]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[2-(4-benzyloxyphenyl)ethoxy]acetyl]amino]-4-(1-nitroethyl)benzoic acid CAS Name: 4-(1-nitroethyl)-3-[[1-oxo-2-[2-(4-phenylmethoxyphenyl)ethoxy]ethyl]amino]benzoic acid IUPAC Name: 4-(1-nitroethyl)-3-[[2-[2-(4-phenylmethoxyphenyl)ethoxy]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[2-(4-benzoxyphenyl)ethoxy]acetyl]amino]-4-(1-nitroethyl)benzoic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)COCCC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)COCCC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O7/c1-18(28(32)33)23-12-9-21(26(30)31)15-24(23)27-25(29)17-34-14-13-19-7-10-22(11-8-19)35-16-20-5-3-2-4-6-20/h2-12,15,18H,13-14,16-17H2,1H3,(H,27,29)(H,30,31)