2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]ethyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O6/c1-20-16(13-17(25)21(2)19(20)27)23-9-7-22(8-10-23)11-12-30-18(26)14-3-5-15(6-4-14)24(28)29/h3-6,13H,7-12H2,1-2H3