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

Systemtic Name: 5-(3-nitrophenyl)carbonyl-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(3-nitrobenzoyl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-[(3-nitrophenyl)-oxomethyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(3-nitrobenzoyl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(3-nitrobenzoyl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H13N3O5 MolecularWeight: 387.34502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C21H13N3O5/c25-19(14-4-1-5-16(9-14)24(28)29)15-6-7-17-18(10-15)21(27)23(20(17)26)12-13-3-2-8-22-11-13/h1-11H,12H2