N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C22H17N3O4 MolecularWeight: 387.38808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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