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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11(16(22)19-10-12-6-3-2-4-7-12)20-17(23)13-8-5-9-14(21(25)26)15(13)18(20)24/h2-9,11H,10H2,1H3,(H,19,22)