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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(3,4-diethoxyphenyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(3,4-diethoxyphenyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-4-30-16-10-9-13(11-17(16)31-5-2)22-19(25)12(3)23-20(26)14-7-6-8-15(24(28)29)18(14)21(23)27/h6-12H,4-5H2,1-3H3,(H,22,25)