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

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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