3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]-6-nitro-quinazolin-4-one Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-3-13(2)14-4-6-15(7-5-14)19(24)11-22-12-21-18-9-8-16(23(26)27)10-17(18)20(22)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m0/s1