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

Systemtic Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-methoxy-5-nitro-benzoic acid Openeye Name: 2-[[2-(3,4-dichlorophenyl)isoindolin-5-yl]amino]-4-methoxy-5-nitro-benzoic acid CAS Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-methoxy-5-nitrobenzoic acid IUPAC Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-methoxy-5-nitrobenzoic acid Traditional Name: 2-[[2-(3,4-dichlorophenyl)isoindolin-5-yl]amino]-4-methoxy-5-nitro-benzoic acid Formula: C22H17Cl2N3O5 MolecularWeight: 474.29348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=CC3=C(CN(C3)C4=CC(=C(C=C4)Cl)Cl)C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=CC3=C(CN(C3)C4=CC(=C(C=C4)Cl)Cl)C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17Cl2N3O5/c1-32-21-9-19(16(22(28)29)8-20(21)27(30)31)25-14-3-2-12-10-26(11-13(12)6-14)15-4-5-17(23)18(24)7-15/h2-9,25H,10-11H2,1H3,(H,28,29)