3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-(4-pyridylmethyl)benzamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4-pyridylmethyl)benzamide Formula: C21H14N4O5 MolecularWeight: 402.35966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H14N4O5/c26-19(23-12-13-6-8-22-9-7-13)14-2-1-3-15(10-14)24-20(27)17-5-4-16(25(29)30)11-18(17)21(24)28/h1-11H,12H2,(H,23,26)