7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride

Systemtic Name: 7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride Openeye Name: 7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride CAS Name: 7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(1-pyrrolidinylmethyl)-1-benzopyran-4-one hydrochloride IUPAC Name: 7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(pyrrolidin-1-ylmethyl)chromen-4-one hydrochloride Traditional Name: 7-methoxy-3-methyl-2-(4-nitrophenyl)-8-(pyrrolidinomethyl)chromone hydrochloride Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)C4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)C4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H22N2O5.ClH/c1-14-20(25)17-9-10-19(28-2)18(13-23-11-3-4-12-23)22(17)29-21(14)15-5-7-16(8-6-15)24(26)27;/h5-10H,3-4,11-13H2,1-2H3;1H