(E)-3-(4-oxidanylidene-6-propyl-quinazolin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-oxidanylidene-6-propyl-quinazolin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-oxo-6-propyl-quinazolin-3-yl)prop-2-enoic acid CAS Name: (E)-3-(4-oxo-6-propyl-3-quinazolinyl)-2-propenoic acid IUPAC Name: (E)-3-(4-oxo-6-propylquinazolin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-keto-6-propyl-quinazolin-3-yl)acrylic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)O

InChI

InChI=1S/C14H14N2O3/c1-2-3-10-4-5-12-11(8-10)14(19)16(9-15-12)7-6-13(17)18/h4-9H,2-3H2,1H3,(H,17,18)/b7-6+