8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)chromen-4-one hydrochloride

Systemtic Name: 8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)chromen-4-one hydrochloride Openeye Name: 8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)chromen-4-one hydrochloride CAS Name: 8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)chromen-4-one hydrochloride Traditional Name: 8-(diethylaminomethyl)-7-methoxy-3-methyl-2-(4-nitrophenyl)chromone hydrochloride Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C22H24N2O5.ClH/c1-5-23(6-2)13-18-19(28-4)12-11-17-20(25)14(3)21(29-22(17)18)15-7-9-16(10-8-15)24(26)27;/h7-12H,5-6,13H2,1-4H3;1H