3-[4-methyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[4-methyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-(4-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid CAS Name: 3-(4-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid IUPAC Name: 3-(4-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid Traditional Name: 3-(2,7-diketo-4-methyl-3H-quinazolin-1-yl)propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)C=C2N(C(=O)N1)CCC(=O)O

Isomeric SMILES

CC1=C2C=CC(=O)C=C2N(C(=O)N1)CCC(=O)O

InChI

InChI=1S/C12H12N2O4/c1-7-9-3-2-8(15)6-10(9)14(12(18)13-7)5-4-11(16)17/h2-3,6H,4-5H2,1H3,(H,13,18)(H,16,17)