2-(1,3-benzodioxol-5-yl)-2-[(6-chloranylquinazolin-4-yl)amino]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[(6-chloranylquinazolin-4-yl)amino]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[(6-chloroquinazolin-4-yl)amino]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[(6-chloro-4-quinazolinyl)amino]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[(6-chloroquinazolin-4-yl)amino]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[(6-chloroquinazolin-4-yl)amino]acetic acid Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)NC3=NC=NC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)NC3=NC=NC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN3O4/c18-10-2-3-12-11(6-10)16(20-7-19-12)21-15(17(22)23)9-1-4-13-14(5-9)25-8-24-13/h1-7,15H,8H2,(H,22,23)(H,19,20,21)