2-[[3,4-bis(chloranyl)-2,3-dihydro-1H-isoindol-5-yl]-phenyl-amino]-4-nitro-benzoic acid

Systemtic Name: 2-[[3,4-bis(chloranyl)-2,3-dihydro-1H-isoindol-5-yl]-phenyl-amino]-4-nitro-benzoic acid Openeye Name: 2-(N-(3,4-dichloroisoindolin-5-yl)anilino)-4-nitro-benzoic acid CAS Name: 2-(N-(3,4-dichloro-2,3-dihydro-1H-isoindol-5-yl)anilino)-4-nitrobenzoic acid IUPAC Name: 2-(N-(3,4-dichloro-2,3-dihydro-1H-isoindol-5-yl)anilino)-4-nitrobenzoic acid Traditional Name: 2-(N-(3,4-dichloroisoindolin-5-yl)anilino)-4-nitro-benzoic acid Formula: C21H15Cl2N3O4 MolecularWeight: 444.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(N1)Cl)C(=C(C=C2)N(C3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C1C2=C(C(N1)Cl)C(=C(C=C2)N(C3=CC=CC=C3)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)Cl

InChI

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