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

Systemtic Name: N-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitro-benzamide Formula: C21H13IN4O6 MolecularWeight: 544.25559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)[N+](=O)[O-]

InChI

InChI=1S/C21H13IN4O6/c1-11-17(25(28)29)8-13(9-18(11)26(30)31)20(27)23-15-5-6-19-16(10-15)24-21(32-19)12-3-2-4-14(22)7-12/h2-10H,1H3,(H,23,27)