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

Systemtic Name: N-(3-ethanoylphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(3-acetylphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(3-acetylphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(3-acetylphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(3-acetylphenyl)-3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionamide Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O6/c1-11(23)12-3-2-4-13(9-12)20-17(24)7-8-21-18(25)15-6-5-14(22(27)28)10-16(15)19(21)26/h2-6,9-10H,7-8H2,1H3,(H,20,24)