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

Systemtic Name: 4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]butyl 4-nitrobenzoate Openeye Name: 4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(5-methyl-2,4-dioxo-1-pyrimidinyl)butyl ester IUPAC Name: 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-(2,4-diketo-5-methyl-pyrimidin-1-yl)butyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-11-10-18(16(22)17-14(11)20)8-2-3-9-25-15(21)12-4-6-13(7-5-12)19(23)24/h4-7,10H,2-3,8-9H2,1H3,(H,17,20,22)