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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-benzyl-3-(1,3-diketo-5-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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