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

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-urea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-urea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylurea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methylurea Traditional Name: 3-ethyl-1-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]-1-methyl-urea Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNC(=O)N(C)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H26N4O5/c1-5-25-23(30)26(4)14-19-21(27-13-15-8-6-7-9-17(15)22(27)29)18-12-16(28(31)32)10-11-20(18)33-24(19,2)3/h6-12H,5,13-14H2,1-4H3,(H,25,30)