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

Systemtic Name: N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-methyl-3,5-dinitro-benzamide Formula: C22H15ClN4O6 MolecularWeight: 466.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O6/c1-11-3-4-13(22-25-17-10-15(23)5-6-20(17)33-22)7-16(11)24-21(28)14-8-18(26(29)30)12(2)19(9-14)27(31)32/h3-10H,1-2H3,(H,24,28)