5-nitro-2-[[(4-phenylmethoxyphenyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[(4-phenylmethoxyphenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzyloxyanilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-phenylmethoxyanilino)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-phenylmethoxyanilino)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-benzoxyanilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c26-21-19-11-8-17(25(28)29)12-20(19)22(27)24(21)14-23-16-6-9-18(10-7-16)30-13-15-4-2-1-3-5-15/h1-12,23H,13-14H2