(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O6/c1-15-8-10-26(11-9-15)21-7-5-18(12-22(21)27(30)31)25(29)32-14-19-13-23(28)33-24-17(3)16(2)4-6-20(19)24/h4-7,12-13,15H,8-11,14H2,1-3H3