(3S)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3S)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3S)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(pyrrolidin-1-ylmethyl)chroman-4-one CAS Name: (3S)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3S)-3-(4-chlorobenzyl)-6-methyl-8-nitro-3-(pyrrolidinomethyl)chroman-4-one Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(CC3=CC=C(C=C3)Cl)CN4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)[C@@](CO2)(CC3=CC=C(C=C3)Cl)CN4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN2O4/c1-15-10-18-20(19(11-15)25(27)28)29-14-22(21(18)26,13-24-8-2-3-9-24)12-16-4-6-17(23)7-5-16/h4-7,10-11H,2-3,8-9,12-14H2,1H3/t22-/m0/s1