3-[2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazol-5-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazol-5-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazol-5-yl]benzonitrile CAS Name: 3-[2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazol-5-yl]benzonitrile IUPAC Name: 3-[2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazol-5-yl]benzonitrile Traditional Name: 3-[2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazol-5-yl]benzonitrile Formula: C21H13N3O4 MolecularWeight: 371.34562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4/c1-27-20-8-6-16(11-18(20)24(25)26)21-23-17-10-15(5-7-19(17)28-21)14-4-2-3-13(9-14)12-22/h2-11H,1H3