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

Systemtic Name: N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-12-3-5-20-17(7-12)24-22(33-20)13-4-6-19(32-2)18(10-13)23-21(27)14-8-15(25(28)29)11-16(9-14)26(30)31/h3-11H,1-2H3,(H,23,27)