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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-isopentyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c1-11(2)7-8-23-19(26)14-5-3-12(9-15(14)20(23)27)18(25)22-17-10-13(24(28)29)4-6-16(17)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)