4-nitro-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-(3-pyridyl)pyrimidin-2-yl]amino]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-(3-pyridyl)pyrimidin-2-yl]amino]isoindoline-1,3-quinone Formula: C17H10N6O4 MolecularWeight: 362.2991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C17H10N6O4/c24-15-11-4-1-5-13(23(26)27)14(11)16(25)22(15)21-17-19-8-6-12(20-17)10-3-2-7-18-9-10/h1-9H,(H,19,20,21)