N-tert-butyl-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-tert-butyl-2-(7-nitro-4-oxo-3-quinazolinyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-benzyl-N-tert-butyl-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-21(2,3)24(12-15-7-5-4-6-8-15)19(26)13-23-14-22-18-11-16(25(28)29)9-10-17(18)20(23)27/h4-11,14H,12-13H2,1-3H3