N-(4-bromanyl-3-methyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C17H14BrN3O5 MolecularWeight: 420.21416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN3O5/c1-10-6-11(2-4-13(10)18)19-16(22)8-20-14-7-12(21(24)25)3-5-15(14)26-9-17(20)23/h2-7H,8-9H2,1H3,(H,19,22)