5-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C14H9N3O4 MolecularWeight: 283.23896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4/c18-13-11-4-3-10(17(20)21)6-12(11)14(19)16(13)8-9-2-1-5-15-7-9/h1-7H,8H2