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

Systemtic Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-nitro-benzoic acid Openeye Name: 2-[[2-(3,4-dichlorophenyl)isoindolin-5-yl]amino]-4-nitro-benzoic acid CAS Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]-4-nitrobenzoic acid Traditional Name: 2-[[2-(3,4-dichlorophenyl)isoindolin-5-yl]amino]-4-nitro-benzoic acid Formula: C21H15Cl2N3O4 MolecularWeight: 444.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C3=CC(=C(C=C3)Cl)Cl)C=C(C=C2)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2=C(CN1C3=CC(=C(C=C3)Cl)Cl)C=C(C=C2)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H15Cl2N3O4/c22-18-6-4-15(8-19(18)23)25-10-12-1-2-14(7-13(12)11-25)24-20-9-16(26(29)30)3-5-17(20)21(27)28/h1-9,24H,10-11H2,(H,27,28)