2-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-nitro-phenol hydrochloride

Systemtic Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-nitro-phenol hydrochloride Openeye Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-nitro-phenol hydrochloride CAS Name: 2-[(6,7-dimethoxy-4-quinazolinyl)amino]-4-nitrophenol hydrochloride IUPAC Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-nitrophenol hydrochloride Traditional Name: 2-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-nitro-phenol hydrochloride Formula: C16H15ClN4O5 MolecularWeight: 378.7671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)[N+](=O)[O-])O)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)[N+](=O)[O-])O)OC.Cl

InChI

InChI=1S/C16H14N4O5.ClH/c1-24-14-6-10-11(7-15(14)25-2)17-8-18-16(10)19-12-5-9(20(22)23)3-4-13(12)21;/h3-8,21H,1-2H3,(H,17,18,19);1H