[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H22N4O6/c1-20-14(11-17(24)21(2)19(20)26)12-29-18(25)15-10-13(23(27)28)6-7-16(15)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,12H2,1-2H3