N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C23H18N4O6 MolecularWeight: 446.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O6/c1-12-6-14(3)21-20(7-12)25-23(33-21)15-5-4-13(2)19(10-15)24-22(28)16-8-17(26(29)30)11-18(9-16)27(31)32/h4-11H,1-3H3,(H,24,28)