2-[[(2-prop-2-enoxyquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(2-prop-2-enoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(2-allyloxyquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(2-prop-2-enoxy-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(2-prop-2-enoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(2-allyloxyquinazolin-4-yl)amino]methylene]malonic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC2=CC=CC=C2C(=N1)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C=CCOC1=NC2=CC=CC=C2C(=N1)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C15H13N3O5/c1-2-7-23-15-17-11-6-4-3-5-9(11)12(18-15)16-8-10(13(19)20)14(21)22/h2-6,8H,1,7H2,(H,19,20)(H,21,22)(H,16,17,18)