(E)-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[2-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-[2-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-[2-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-(1-tert-butoxycarbonyl-2-chloro-indol-3-yl)-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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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