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

Systemtic Name: 3-(3,4-diethoxyphenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile Openeye Name: 3-(3,4-diethoxyphenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanenitrile CAS Name: 3-(3,4-diethoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanenitrile IUPAC Name: 3-(3,4-diethoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanenitrile Traditional Name: 3-(3,4-diethoxyphenyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionitrile Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H19N3O6/c1-3-29-17-9-8-13(12-18(17)30-4-2)15(10-11-22)23-20(25)14-6-5-7-16(24(27)28)19(14)21(23)26/h5-9,12,15H,3-4,10H2,1-2H3