N-[(1R)-3-methyl-1-phenyl-butyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-6-nitro-quinazolin-3-yl)-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-14(2)10-19(15-6-4-3-5-7-15)23-20(26)12-24-13-22-18-9-8-16(25(28)29)11-17(18)21(24)27/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,23,26)/t19-/m1/s1