(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-6-keto-1-(p-tolyl)nipecotic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C30H30N2O9 MolecularWeight: 562.5672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H30N2O9/c1-18-4-7-22(8-5-18)31-27(33)11-9-24(28(31)19-6-10-25(37-2)26(14-19)38-3)30(34)40-16-21-13-23(32(35)36)12-20-15-39-17-41-29(20)21/h4-8,10,12-14,24,28H,9,11,15-17H2,1-3H3