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

Systemtic Name: 6-(2-dimethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride Openeye Name: 6-(2-dimethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride CAS Name: 6-(2-dimethylaminoethylamino)-3,3-dimethyl-2-nitro-7-pyrano[2,3-c]xanthenone hydrochloride IUPAC Name: 6-(2-dimethylaminoethylamino)-3,3-dimethyl-2-nitropyrano[2,3-c]xanthen-7-one hydrochloride Traditional Name: 6-(2-dimethylaminoethylamino)-3,3-dimethyl-2-nitro-pyrano[2,3-c]xanthen-7-one hydrochloride Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=C(O1)C=C(C3=C2OC4=CC=CC=C4C3=O)NCCN(C)C)[N+](=O)[O-])C.Cl

Isomeric SMILES

CC1(C(=CC2=C(O1)C=C(C3=C2OC4=CC=CC=C4C3=O)NCCN(C)C)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C22H23N3O5.ClH/c1-22(2)18(25(27)28)11-14-17(30-22)12-15(23-9-10-24(3)4)19-20(26)13-7-5-6-8-16(13)29-21(14)19;/h5-8,11-12,23H,9-10H2,1-4H3;1H