ethyl 5-[2,4-bis(oxidanylidene)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl]-2-nitro-benzoate

Systemtic Name: ethyl 5-[2,4-bis(oxidanylidene)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl]-2-nitro-benzoate Openeye Name: ethyl 5-(2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)-2-nitro-benzoate CAS Name: 5-(2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 5-(2,4-dioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)-2-nitrobenzoate Traditional Name: 5-(2,4-diketo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)-2-nitro-benzoic acid ethyl ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C(CCC3)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C(CCC3)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-2-25-15(21)11-8-9(6-7-13(11)19(23)24)18-14(20)10-4-3-5-12(10)17-16(18)22/h6-8H,2-5H2,1H3,(H,17,22)