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

Systemtic Name: N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C21H13ClN4O6 MolecularWeight: 452.80412

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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(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN4O6/c1-11-2-3-12(21-24-18-9-14(22)4-5-19(18)32-21)8-17(11)23-20(27)13-6-15(25(28)29)10-16(7-13)26(30)31/h2-10H,1H3,(H,23,27)