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

Systemtic Name: 5-nitro-2-[[(4-phenoxyphenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-phenoxyanilino)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-phenoxyanilino)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-phenoxyanilino)methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[(4-phenoxyanilino)methyl]isoindoline-1,3-quinone Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5/c25-20-18-11-8-15(24(27)28)12-19(18)21(26)23(20)13-22-14-6-9-17(10-7-14)29-16-4-2-1-3-5-16/h1-12,22H,13H2