6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexyl 4-nitrobenzoate

Systemtic Name: 6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexyl 4-nitrobenzoate Openeye Name: 6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 6-(5-methyl-2,4-dioxo-1-pyrimidinyl)hexyl ester IUPAC Name: 6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 6-(2,4-diketo-5-methyl-pyrimidin-1-yl)hexyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-13-12-20(18(24)19-16(13)22)10-4-2-3-5-11-27-17(23)14-6-8-15(9-7-14)21(25)26/h6-9,12H,2-5,10-11H2,1H3,(H,19,22,24)