5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole

Systemtic Name: 5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Openeye Name: 5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole CAS Name: 5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole IUPAC Name: 5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole Traditional Name: 5-(3H-1,2-benzodioxol-6-yl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Formula: C21H14N2O6 MolecularWeight: 390.34566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6/c1-26-19-7-5-14(9-17(19)23(24)25)21-22-16-8-12(4-6-18(16)28-21)13-2-3-15-11-27-29-20(15)10-13/h2-10H,11H2,1H3