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

Systemtic Name: methyl N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]carbamate Openeye Name: methyl N-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]carbamate CAS Name: N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]carbamate Traditional Name: N-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]carbamic acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNC(=O)OC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNC(=O)OC)C

InChI

InChI=1S/C22H21N3O6/c1-22(2)17(11-23-21(27)30-3)19(16-10-14(25(28)29)8-9-18(16)31-22)24-12-13-6-4-5-7-15(13)20(24)26/h4-10H,11-12H2,1-3H3,(H,23,27)