(E)-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (E)-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (E)-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (E)-3-[2-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (E)-3-[2-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (E)-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)-1-ethoxy-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C18H19ClN3O5+ MolecularWeight: 392.81356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)[N+]#N)O

Isomeric SMILES

CCO/C(=C(\C(=O)C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)/[N+]#N)/O

InChI

InChI=1S/C18H18ClN3O5/c1-5-26-16(24)13(21-20)14(23)12-10-8-6-7-9-11(10)22(15(12)19)17(25)27-18(2,3)4/h6-9H,5H2,1-4H3/p+1