6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride

Systemtic Name: 6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride Openeye Name: 6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride CAS Name: 6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitro-7-pyrano[2,3-c]xanthenone hydrochloride IUPAC Name: 6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitropyrano[2,3-c]xanthen-7-one hydrochloride Traditional Name: 6-(2-diethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride Formula: C24H28ClN3O5 MolecularWeight: 473.94922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC2=C(C=C(C(O2)(C)C)[N+](=O)[O-])C3=C1C(=O)C4=CC=CC=C4O3.Cl

Isomeric SMILES

CCN(CC)CCNC1=CC2=C(C=C(C(O2)(C)C)[N+](=O)[O-])C3=C1C(=O)C4=CC=CC=C4O3.Cl

InChI

InChI=1S/C24H27N3O5.ClH/c1-5-26(6-2)12-11-25-17-14-19-16(13-20(27(29)30)24(3,4)32-19)23-21(17)22(28)15-9-7-8-10-18(15)31-23;/h7-10,13-14,25H,5-6,11-12H2,1-4H3;1H