N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionamide Formula: C24H17N5O5 MolecularWeight: 455.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5/c30-21(11-12-28-23(31)17-10-9-16(29(33)34)13-18(17)24(28)32)25-15-7-5-14(6-8-15)22-26-19-3-1-2-4-20(19)27-22/h1-10,13H,11-12H2,(H,25,30)(H,26,27)