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

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c26-17(21-10-8-16-22-13-5-1-2-6-14(13)23-16)9-11-24-19(27)12-4-3-7-15(25(29)30)18(12)20(24)28/h1-7H,8-11H2,(H,21,26)(H,22,23)