N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(4-tert-butylbenzyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-methyl-acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)16-7-5-15(6-8-16)12-23(4)20(26)13-24-18-11-17(25(28)29)9-10-19(18)30-14-21(24)27/h5-11H,12-14H2,1-4H3