4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid

Systemtic Name: 4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Openeye Name: 4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzoic acid CAS Name: 4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid IUPAC Name: 4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Traditional Name: 4-nitro-2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzoic acid Formula: C24H23N3O7 MolecularWeight: 465.45532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)OC)OC

InChI

InChI=1S/C24H23N3O7/c1-32-21-9-8-20(22(33-2)23(21)34-3)26-12-14-4-5-16(10-15(14)13-26)25-19-11-17(27(30)31)6-7-18(19)24(28)29/h4-11,25H,12-13H2,1-3H3,(H,28,29)