2-cyano-5-[1-methyl-2,4-bis(oxidanylidene)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]benzoic acid

Systemtic Name: 2-cyano-5-[1-methyl-2,4-bis(oxidanylidene)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]benzoic acid Openeye Name: 2-cyano-5-(1-methyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)benzoic acid CAS Name: 2-cyano-5-(1-methyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)benzoic acid IUPAC Name: 2-cyano-5-(1-methyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)benzoic acid Traditional Name: 2-cyano-5-(2,4-diketo-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)benzoic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCC2)C(=O)N(C1=O)C3=CC(=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CN1C2=C(CCC2)C(=O)N(C1=O)C3=CC(=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C16H13N3O4/c1-18-13-4-2-3-11(13)14(20)19(16(18)23)10-6-5-9(8-17)12(7-10)15(21)22/h5-7H,2-4H2,1H3,(H,21,22)