4-[2-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxy-phenoxy]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[2-[2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]acetyl]amino]benzoic acid CAS Name: 4-[[2-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[2-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-methoxyphenoxy]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[2-[2-cyano-2-(3-nitrophenyl)vinyl]-6-methoxy-phenoxy]acetyl]amino]benzoic acid Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(=O)NC2=CC=C(C=C2)C(=O)O)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)NC2=CC=C(C=C2)C(=O)O)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7/c1-34-22-7-3-5-18(12-19(14-26)17-4-2-6-21(13-17)28(32)33)24(22)35-15-23(29)27-20-10-8-16(9-11-20)25(30)31/h2-13H,15H2,1H3,(H,27,29)(H,30,31)