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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H19N3O7/c1-3-29-16-8-5-12(9-17(16)30-4-2)21-18(24)11-22-19(25)14-7-6-13(23(27)28)10-15(14)20(22)26/h5-10H,3-4,11H2,1-2H3,(H,21,24)