3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-6-nitro-quinazolin-4-one CAS Name: 3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-6-nitroquinazolin-4-one Traditional Name: 3-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-6-nitro-quinazolin-4-one Formula: C20H15N3O5 MolecularWeight: 377.3502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H15N3O5/c1-11-3-5-15-13(7-18(24)28-19(15)12(11)2)9-22-10-21-17-6-4-14(23(26)27)8-16(17)20(22)25/h3-8,10H,9H2,1-2H3