3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxy-aniline

Systemtic Name: 3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxy-aniline Openeye Name: 3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxy-aniline CAS Name: 3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxyaniline IUPAC Name: 3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxyaniline Traditional Name: [3-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-methoxy-phenyl]amine Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N)C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

InChI

InChI=1S/C21H16N2O4/c1-24-18-7-5-15(22)10-16(18)21-23-17-8-12(4-6-19(17)26-21)13-2-3-14-11-25-27-20(14)9-13/h2-10H,11,22H2,1H3