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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5/c22-15(19-10-11-2-1-6-18-9-11)5-7-20-16(23)13-4-3-12(21(25)26)8-14(13)17(20)24/h1-4,6,8-9H,5,7,10H2,(H,19,22)