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

Systemtic Name: N-(4-butyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Openeye Name: N-(4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide CAS Name: N-(4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide IUPAC Name: N-(4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,5-dinitrobenzamide Traditional Name: N-(4-butyl-3-keto-2-methyl-1,4-benzoxazin-6-yl)-3,5-dinitro-benzamide Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(C1=O)C

InChI

InChI=1S/C20H20N4O7/c1-3-4-7-22-17-10-14(5-6-18(17)31-12(2)20(22)26)21-19(25)13-8-15(23(27)28)11-16(9-13)24(29)30/h5-6,8-12H,3-4,7H2,1-2H3,(H,21,25)