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

Systemtic Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5/c1-13-4-5-16(10-14(13)2)23-25-18-12-17(7-9-20(18)31-23)24-22(27)15-6-8-21(30-3)19(11-15)26(28)29/h4-12H,1-3H3,(H,24,27)