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

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-pentan-3-yl-propanamide Openeye Name: N-(1-ethylpropyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)-N-pentan-3-ylpropanamide IUPAC Name: 3-(4-nitro-1,3-dioxoisoindol-2-yl)-N-pentan-3-ylpropanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(1-ethylpropyl)propionamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-3-10(4-2)17-13(20)8-9-18-15(21)11-6-5-7-12(19(23)24)14(11)16(18)22/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,20)