(E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]acrylic acid Formula: C19H14ClN3O4 MolecularWeight: 383.78516

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)C=CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)Cl)/C=C/C(=O)O

InChI

InChI=1S/C19H14ClN3O4/c20-12-2-3-14-13(8-12)19(23-17(22-14)5-6-18(24)25)21-9-11-1-4-15-16(7-11)27-10-26-15/h1-8H,9-10H2,(H,24,25)(H,21,22,23)/b6-5+