3-azanyl-4,5,6,7-tetrakis(chloranyl)isoindol-1-one; 4-phenylaniline

Systemtic Name: 3-azanyl-4,5,6,7-tetrakis(chloranyl)isoindol-1-one; 4-phenylaniline Openeye Name: 3-amino-4,5,6,7-tetrachloro-isoindol-1-one; 4-phenylaniline CAS Name: 3-amino-4,5,6,7-tetrachloro-1-isoindolone; 4-phenylaniline IUPAC Name: 3-amino-4,5,6,7-tetrachloroisoindol-1-one; 4-phenylaniline Traditional Name: 3-amino-4,5,6,7-tetrachloro-isoindol-1-one; (4-phenylphenyl)amine Formula: C20H13Cl4N3O MolecularWeight: 453.14872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)N.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N.C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N=C2N

InChI

InChI=1S/C12H11N.C8H2Cl4N2O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;9-3-1-2(8(15)14-7(1)13)4(10)6(12)5(3)11/h1-9H,13H2;(H2,13,14,15)