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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NO2)CCCNCCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NO2)CCCNCCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

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