N-(2-methylpropyl)-2-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-methylpropyl)-2-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzamide Openeye Name: N-isobutyl-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide CAS Name: N-(2-methylpropyl)-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-methylpropyl)-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide Traditional Name: N-isobutyl-2-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]benzamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-13(2)10-22-21(28)15-5-3-4-6-16(15)23-19(26)11-24-17-9-14(25(29)30)7-8-18(17)31-12-20(24)27/h3-9,13H,10-12H2,1-2H3,(H,22,28)(H,23,26)