2-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]-5-nitro-phenol

Systemtic Name: 2-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]-5-nitro-phenol Openeye Name: 2-[[7-(hydroxymethyl)-6-methoxy-quinazolin-4-yl]amino]-5-nitro-phenol CAS Name: 2-[[7-(hydroxymethyl)-6-methoxy-4-quinazolinyl]amino]-5-nitrophenol IUPAC Name: 2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]-5-nitrophenol Traditional Name: 2-[(6-methoxy-7-methylol-quinazolin-4-yl)amino]-5-nitro-phenol Formula: C16H14N4O5 MolecularWeight: 342.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])O)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])O)CO

InChI

InChI=1S/C16H14N4O5/c1-25-15-6-11-13(4-9(15)7-21)17-8-18-16(11)19-12-3-2-10(20(23)24)5-14(12)22/h2-6,8,21-22H,7H2,1H3,(H,17,18,19)