2-[[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2-benzoyl-4-chloro-anilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(2-benzoyl-4-chloro-anilino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H14ClN3O5 MolecularWeight: 435.81666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClN3O5/c23-14-9-10-17(16(11-14)20(27)13-5-2-1-3-6-13)24-12-25-21(28)15-7-4-8-18(26(30)31)19(15)22(25)29/h1-11,24H,12H2