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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCN2C=CC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCN2C=CC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c20-14-8-10-18(16(22)17-14)9-2-1-3-11-25-15(21)12-4-6-13(7-5-12)19(23)24/h4-8,10H,1-3,9,11H2,(H,17,20,22)