N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]ethanamide

Systemtic Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]ethanamide Openeye Name: N-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]acetamide CAS Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]acetamide IUPAC Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]acetamide Traditional Name: N-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]acetamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O5/c1-13(26)23-11-18-20(24-12-14-6-4-5-7-16(14)21(24)27)17-10-15(25(28)29)8-9-19(17)30-22(18,2)3/h4-10H,11-12H2,1-3H3,(H,23,26)