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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

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