2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate; urea

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate; urea Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate; urea CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]benzoate; urea IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate; urea Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]benzoate; urea Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-].C(=O)(N)N

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-].C(=O)(N)N

InChI

InChI=1S/C24H22N2O3.CH4N2O/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;2-1(3)4/h5-14H,1-4H3;(H4,2,3,4)