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

Systemtic Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-4-31-22-9-7-16(12-20(22)27(29)30)23(28)25-18-8-10-21-19(13-18)26-24(32-21)17-6-5-14(2)15(3)11-17/h5-13H,4H2,1-3H3,(H,25,28)