3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-(2,5-dimethylphenyl)-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

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