2-azanyl-6-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-3-nitro-benzoate

Systemtic Name: 2-azanyl-6-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-3-nitro-benzoate Openeye Name: 2-amino-6-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-3-nitro-benzoate CAS Name: 2-amino-6-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-3-nitrobenzoate IUPAC Name: 2-amino-6-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-3-nitrobenzoate Traditional Name: 2-amino-6-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-3-nitro-benzoate Formula: C24H22N4O5 MolecularWeight: 446.45528

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=C(C(=C(C=C4)[N+](=O)[O-])N)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5/c1-26(2)13-5-7-15-19(11-13)33-20-12-14(27(3)4)6-8-16(20)21(15)17-9-10-18(28(31)32)23(25)22(17)24(29)30/h5-12H,25H2,1-4H3