3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]-1,2-benzoxazol-3-yl]propan-1-amine

Systemtic Name: 3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]-1,2-benzoxazol-3-yl]propan-1-amine Openeye Name: 3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]-1,2-benzoxazol-3-yl]propan-1-amine CAS Name: 3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]-1,2-benzoxazol-3-yl]-1-propanamine IUPAC Name: 3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]-1,2-benzoxazol-3-yl]propan-1-amine Traditional Name: 3-[5,6-dimethoxy-4-[2-(4-nitrophenyl)ethyl]indoxazen-3-yl]propylamine Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)ON=C2CCCN)CCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)ON=C2CCCN)CCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5/c1-26-18-12-17-19(16(22-28-17)4-3-11-21)15(20(18)27-2)10-7-13-5-8-14(9-6-13)23(24)25/h5-6,8-9,12H,3-4,7,10-11,21H2,1-2H3