2-cyano-5-[1-methyl-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydroquinazolin-3-yl]benzoic acid

Systemtic Name: 2-cyano-5-[1-methyl-2,4-bis(oxidanylidene)-5,6,7,8-tetrahydroquinazolin-3-yl]benzoic acid Openeye Name: 2-cyano-5-(1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazolin-3-yl)benzoic acid CAS Name: 2-cyano-5-(1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazolin-3-yl)benzoic acid IUPAC Name: 2-cyano-5-(1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazolin-3-yl)benzoic acid Traditional Name: 2-cyano-5-(2,4-diketo-1-methyl-5,6,7,8-tetrahydroquinazolin-3-yl)benzoic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CCCC2)C(=O)N(C1=O)C3=CC(=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CN1C2=C(CCCC2)C(=O)N(C1=O)C3=CC(=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C17H15N3O4/c1-19-14-5-3-2-4-12(14)15(21)20(17(19)24)11-7-6-10(9-18)13(8-11)16(22)23/h6-8H,2-5H2,1H3,(H,22,23)