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

Systemtic Name: (3R)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(1-piperidylmethyl)chroman-4-one CAS Name: (3R)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(1-piperidinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-3-[(4-chlorophenyl)methyl]-6-methyl-8-nitro-3-(piperidin-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-3-(4-chlorobenzyl)-6-methyl-8-nitro-3-(piperidinomethyl)chroman-4-one Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(CO2)(CC3=CC=C(C=C3)Cl)CN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)[C@](CO2)(CC3=CC=C(C=C3)Cl)CN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN2O4/c1-16-11-19-21(20(12-16)26(28)29)30-15-23(22(19)27,14-25-9-3-2-4-10-25)13-17-5-7-18(24)8-6-17/h5-8,11-12H,2-4,9-10,13-15H2,1H3/t23-/m1/s1