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

Systemtic Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline Openeye Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline CAS Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline IUPAC Name: 2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline Traditional Name: [2-[5-(3H-1,2-benzodioxol-6-yl)-1,3-benzoxazol-2-yl]-4-nitro-phenyl]-propyl-amine Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

Isomeric SMILES

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC5=C(COO5)C=C4

InChI

InChI=1S/C23H19N3O5/c1-2-9-24-19-7-6-17(26(27)28)12-18(19)23-25-20-10-14(5-8-21(20)30-23)15-3-4-16-13-29-31-22(16)11-15/h3-8,10-12,24H,2,9,13H2,1H3