(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21ClN2O6 MolecularWeight: 456.87564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C23H21ClN2O6/c1-14-10-21-17(12-18(14)24)16(11-22(27)32-21)13-31-23(28)15-6-8-25(9-7-15)19-4-2-3-5-20(19)26(29)30/h2-5,10-12,15H,6-9,13H2,1H3