2-[[(2-methyl-4-oxidanylidene-quinazolin-3-yl)amino]methyl]-6-nitro-phenolate

Systemtic Name: 2-[[(2-methyl-4-oxidanylidene-quinazolin-3-yl)amino]methyl]-6-nitro-phenolate Openeye Name: 2-[[(2-methyl-4-oxo-quinazolin-3-yl)amino]methyl]-6-nitro-phenolate CAS Name: 2-[[(2-methyl-4-oxo-3-quinazolinyl)amino]methyl]-6-nitrophenolate IUPAC Name: 2-[[(2-methyl-4-oxoquinazolin-3-yl)amino]methyl]-6-nitrophenolate Traditional Name: 2-[[(4-keto-2-methyl-quinazolin-3-yl)amino]methyl]-6-nitro-phenolate Formula: C16H13N4O4- MolecularWeight: 325.29882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NCC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NCC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N4O4/c1-10-18-13-7-3-2-6-12(13)16(22)19(10)17-9-11-5-4-8-14(15(11)21)20(23)24/h2-8,17,21H,9H2,1H3/p-1