2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-[3-(1-imidazolyl)propyl]-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(3-imidazol-1-ylpropyl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C21H16N4O5 MolecularWeight: 404.37554

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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)CCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCN4C=CN=C4

InChI

InChI=1S/C21H16N4O5/c26-19(14-3-1-4-16(11-14)25(29)30)15-5-6-17-18(12-15)21(28)24(20(17)27)9-2-8-23-10-7-22-13-23/h1,3-7,10-13H,2,8-9H2