3-ethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzoxazol-3-ium; perchloric acid

Systemtic Name: 3-ethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzoxazol-3-ium; perchloric acid Openeye Name: 3-ethyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzoxazol-3-ium; perchloric acid CAS Name: 3-ethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzoxazol-3-ium; perchloric acid IUPAC Name: 3-ethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-benzoxazol-3-ium; perchloric acid Traditional Name: 3-ethyl-2-[(E)-2-(3-nitrophenyl)vinyl]-1,3-benzoxazol-3-ium; perchloric acid Formula: C17H16ClN2O7+ MolecularWeight: 395.77114

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=CC=CC=C21)C=CC3=CC(=CC=C3)[N+](=O)[O-].OCl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(OC2=CC=CC=C21)/C=C/C3=CC(=CC=C3)[N+](=O)[O-].OCl(=O)(=O)=O

InChI

InChI=1S/C17H15N2O3.ClHO4/c1-2-18-15-8-3-4-9-16(15)22-17(18)11-10-13-6-5-7-14(12-13)19(20)21;2-1(3,4)5/h3-12H,2H2,1H3;(H,2,3,4,5)/q+1;/b11-10+;