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

Systemtic Name: N-[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-nitro-benzamide Openeye Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-nitro-benzamide CAS Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide IUPAC Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide Traditional Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-nitro-benzamide Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H14ClN3O4/c1-12-14(21-24-17-11-13(22)9-10-19(17)29-21)6-4-7-16(12)23-20(26)15-5-2-3-8-18(15)25(27)28/h2-11H,1H3,(H,23,26)