4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide

Systemtic Name: 4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide CAS Name: 4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide IUPAC Name: 4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide Traditional Name: 4-methyl-3,5-dinitro-N-[2-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C21H13N5O8 MolecularWeight: 463.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O8/c1-11-17(25(30)31)8-12(9-18(11)26(32)33)20(27)22-15-5-3-2-4-14(15)21-23-16-10-13(24(28)29)6-7-19(16)34-21/h2-10H,1H3,(H,22,27)