N-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c27-19(23-8-1-10-24-11-9-22-13-24)14-2-7-17-18(12-14)21(29)25(20(17)28)15-3-5-16(6-4-15)26(30)31/h2-7,9,11-13H,1,8,10H2,(H,23,27)