4-[(2-ethoxycarbonylquinazolin-4-yl)amino]benzoic acid; hydron; chloride

Systemtic Name: 4-[(2-ethoxycarbonylquinazolin-4-yl)amino]benzoic acid; hydron; chloride Openeye Name: 4-[(2-ethoxycarbonylquinazolin-4-yl)amino]benzoic acid; hydron; chloride CAS Name: 4-[(2-ethoxycarbonyl-4-quinazolinyl)amino]benzoic acid; hydron; chloride IUPAC Name: 4-[(2-ethoxycarbonylquinazolin-4-yl)amino]benzoic acid; hydron; chloride Traditional Name: 4-[(2-carbethoxyquinazolin-4-yl)amino]benzoic acid; hydron; chloride Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)O.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C18H15N3O4.ClH/c1-2-25-18(24)16-20-14-6-4-3-5-13(14)15(21-16)19-12-9-7-11(8-10-12)17(22)23;/h3-10H,2H2,1H3,(H,22,23)(H,19,20,21);1H