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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-6-nitro-quinazolin-3-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-3-13(2)14-4-6-15(7-5-14)22-19(25)11-23-12-21-18-9-8-16(24(27)28)10-17(18)20(23)26/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)/t13-/m0/s1