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

Systemtic Name: ethyl N-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6/c1-4-31-22(28)24-12-18-20(25-13-14-7-5-6-8-16(14)21(25)27)17-11-15(26(29)30)9-10-19(17)32-23(18,2)3/h5-11H,4,12-13H2,1-3H3,(H,24,28)