N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-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=CC=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=C(C(=C4)C)C)[N+](=O)[O-]

InChI

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