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

Systemtic Name: N-[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-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[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

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