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

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2,4-dinitro-benzamide Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H14N4O6/c1-12-14(21-23-17-6-2-3-8-19(17)31-21)5-4-7-16(12)22-20(26)15-10-9-13(24(27)28)11-18(15)25(29)30/h2-11H,1H3,(H,22,26)