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

Systemtic Name: 2-(3-methylbutyl)-N-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-isopentyl-N-(2-methyl-3-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(3-methylbutyl)-N-(2-methyl-3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(3-methylbutyl)-N-(2-methyl-3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-isoamyl-1,3-diketo-N-(2-methyl-3-nitro-phenyl)isoindoline-5-carboxamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

InChI

InChI=1S/C21H21N3O5/c1-12(2)9-10-23-20(26)15-8-7-14(11-16(15)21(23)27)19(25)22-17-5-4-6-18(13(17)3)24(28)29/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)