3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-7-nitro-quinazolin-4-one CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-7-nitroquinazolin-4-one Traditional Name: 3-(4-tert-butyl-2,6-dimethyl-benzyl)-7-nitro-quinazolin-4-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C21H23N3O3/c1-13-8-15(21(3,4)5)9-14(2)18(13)11-23-12-22-19-10-16(24(26)27)6-7-17(19)20(23)25/h6-10,12H,11H2,1-5H3