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

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6/c24-15(21-19(27)20-11-12-5-2-1-3-6-12)9-10-22-17(25)13-7-4-8-14(23(28)29)16(13)18(22)26/h1-8H,9-11H2,(H2,20,21,24,27)