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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-13-5-4-8-23(11-13)16-7-6-14(9-17(16)24(28)29)19(26)30-12-15-10-18(25)22(3)20(27)21(15)2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3