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

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-benzyl-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c22-15(19-11-12-5-2-1-3-6-12)9-10-20-17(23)13-7-4-8-14(21(25)26)16(13)18(20)24/h1-8H,9-11H2,(H,19,22)