N-(2-methoxy-5-nitro-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-isopentyl-N-(2-methoxy-5-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-isoamyl-1,3-diketo-N-(2-methoxy-5-nitro-phenyl)isoindoline-5-carboxamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O6/c1-12(2)8-9-23-20(26)15-6-4-13(10-16(15)21(23)27)19(25)22-17-11-14(24(28)29)5-7-18(17)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)