4-[[(2-chloranylquinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(2-chloranylquinazolin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(2-chloro-4-quinazolinyl)amino]methyl]benzoate IUPAC Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoate Formula: C16H11ClN3O2- MolecularWeight: 312.73044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O2/c17-16-19-13-4-2-1-3-12(13)14(20-16)18-9-10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22)(H,18,19,20)/p-1