2-[3-[(3-nitropyridin-2-yl)-phenyl-amino]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(3-nitropyridin-2-yl)-phenyl-amino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(N-(3-nitro-2-pyridyl)anilino)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(N-(3-nitro-2-pyridinyl)anilino)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(N-(3-nitropyridin-2-yl)anilino)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(N-(3-nitro-2-pyridyl)anilino)propyl]isoindoline-1,3-quinone Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c27-21-17-10-4-5-11-18(17)22(28)25(21)15-7-14-24(16-8-2-1-3-9-16)20-19(26(29)30)12-6-13-23-20/h1-6,8-13H,7,14-15H2