N-(2-methoxyphenyl)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(2-methoxyphenyl)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(2-methoxyphenyl)-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(2-methoxyphenyl)-4-(5-nitro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(2-methoxyphenyl)-4-(5-nitro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2-methoxyphenyl)butyramide Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-28-16-6-3-2-5-15(16)20-17(23)7-4-10-21-18(24)13-9-8-12(22(26)27)11-14(13)19(21)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)