N-(2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Openeye Name: N-(2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide CAS Name: N-(2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide IUPAC Name: N-(2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide Traditional Name: N-(4-amyl-3-keto-2-methyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(C1=O)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(C1=O)C

InChI

InChI=1S/C21H22N4O7/c1-3-4-5-8-23-18-11-15(6-7-19(18)32-13(2)21(23)27)22-20(26)14-9-16(24(28)29)12-17(10-14)25(30)31/h6-7,9-13H,3-5,8H2,1-2H3,(H,22,26)