N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4/c1-13-8-14(2)10-16(9-13)22-24-19-12-17(6-7-20(19)29-22)23-21(26)15-4-3-5-18(11-15)25(27)28/h3-12H,1-2H3,(H,23,26)