N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c1-13-7-8-17(23-25-20-9-14(2)15(3)10-21(20)30-23)12-19(13)24-22(27)16-5-4-6-18(11-16)26(28)29/h4-12H,1-3H3,(H,24,27)