2-[[(3-chlorophenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(3-chlorophenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-chloroanilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-chloroanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-chloroanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3-chloroanilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H10ClN3O4 MolecularWeight: 331.7106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN3O4/c16-9-2-1-3-10(6-9)17-8-18-14(20)12-5-4-11(19(22)23)7-13(12)15(18)21/h1-7,17H,8H2